%chk=000132315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132315

0 1
 O   -4.058300       1.304600      0.3331000    
 O   -5.492600       3.102400      0.2329000    
 O   -10.53170      -1.603900     -0.8079000    
 O   -9.031100      -3.201600     -0.6857000    
 N    3.603000      0.7868000      0.1751000    
 N    7.055200      -1.510900     -0.4336000    
 N   -9.346600      -1.987400     -0.6560000    
 C   0.8097000       1.373500       1.034900    
 C    2.033700       2.248500       1.322500    
 C  -0.4645000       2.215300      0.9424000    
 C    3.325600       1.439900       1.410000    
 C   -1.690600       1.341300      0.6883000    
 C    4.773600      7.6000001E-03 -3.1199999E-02
 C    4.755900      -1.360600      0.2585000    
 C    5.933400      0.6156000     -0.5224000    
 C   -2.956900       2.175000      0.5522000    
 C    5.935600      -2.091700      3.9299998E-02
 C    7.066900     -0.1928000     -0.7110000    
 C    3.604300      -1.997700      0.7529000    
 C    5.979500       1.988300     -0.8221000    
 C    5.924100      -3.454200      0.3258000    
 C    8.224700      0.4068000      -1.199800    
 C    3.619000      -3.361200       1.031300    
 C    7.149300       2.563400      -1.309500    
 C    4.781600      -4.090600      0.8172000    
 C    8.274100       1.770600      -1.498600    
 C   -5.274100       1.901600      0.1896000    
 C   -6.336300      0.8880000     -3.1300001E-02
 C   -7.660900       1.290600     -0.2018000    
 C   -6.009200     -0.4674000     -6.7599997E-02
 C   -8.658400      0.3380000     -0.4085000    
 C   -7.006700      -1.420300     -0.2744000    
 C   -8.331300      -1.017600     -0.4448000    
 H   0.9451000      0.8271000      9.4200000E-02
 H   0.7014000      0.6258000       1.830000    
 H    1.885700       2.781600       2.269500    
 H    2.129800       3.010300      0.5384000    
 H  -0.3603000       2.948400      0.1333000    
 H  -0.6029000       2.778500       1.873300    
 H    3.242000      0.7081000       2.222100    
 H    4.145100       2.118500       1.674800    
 H   -1.816400      0.6176000       1.503300    
 H   -1.551100      0.7453000     -0.2225000    
 H    3.303700       1.278200     -0.6637000    
 H   -2.862600       2.865200     -0.2945000    
 H   -3.125700       2.752600       1.468700    
 H    2.676800      -1.457700      0.9254000    
 H    5.119600       2.639300     -0.6886000    
 H    6.822600      -4.047600      0.1664000    
 H    9.119300     -0.1932000      -1.356600    
 H    2.728000      -3.851300       1.411500    
 H    7.182400       3.623700      -1.540600    
 H    4.803700      -5.155200       1.030900    
 H    9.192000       2.209300      -1.878700    
 H   -7.935900       2.341800     -0.1767000    
 H   -4.991300     -0.8249000      6.0300000E-02
 H   -9.679400      0.6882000     -0.5375000    
 H   -6.715600      -2.467400     -0.2969000    


%chk=000132315-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132315

0 1
O -3.986396 1.162273 0.493352
O -5.549178 2.873888 0.746970
O -10.463911 -1.685887 -1.460143
O -8.859520 -3.291588 -1.685285
N 3.880265 1.347836 0.413556
N 6.742517 -1.670319 -0.728910
N -9.243173 -2.096955 -1.383393
C 0.922284 1.441250 1.423136
C 2.104450 2.311874 1.900940
C -0.420644 2.204822 1.420559
C 3.478629 1.613505 1.820796
C -1.604143 1.319357 0.963381
C 4.793466 0.351129 0.026669
C 4.603730 -1.027285 0.389981
C 5.930921 0.689498 -0.792100
C -2.917237 2.100288 0.955264
C 5.641381 -1.986148 0.024859
C 6.860639 -0.373867 -1.158354
C 3.416691 -1.523916 1.034098
C 6.217214 2.025844 -1.242465
C 5.497558 -3.357923 0.439924
C 7.990325 -0.054622 -1.992103
C 3.295479 -2.865254 1.389877
C 7.322626 2.300123 -2.045928
C 4.361613 -3.787982 1.118037
C 8.214892 1.245033 -2.434134
C -5.273963 1.689126 0.434716
C -6.272626 0.679978 -0.040111
C -7.628708 1.086563 -0.139098
C -5.896744 -0.644323 -0.385591
C -8.610527 0.181005 -0.579302
C -6.869096 -1.560849 -0.827615
C -8.211395 -1.131242 -0.916616
H 1.138223 1.064730 0.403651
H 0.833157 0.551368 2.080925
H 1.939693 2.624050 2.951927
H 2.136633 3.248381 1.303549
H -0.337050 3.087046 0.752160
H -0.622778 2.600759 2.437679
H 3.465046 0.663852 2.377852
H 4.242755 2.256406 2.311956
H -1.702744 0.446471 1.636890
H -1.407040 0.925023 -0.051881
H 3.950138 2.212077 -0.131250
H -2.891045 2.961991 0.262641
H -3.193280 2.473393 1.958981
H 2.574549 -0.845905 1.194964
H 5.573274 2.863890 -0.947195
H 6.310297 -4.040859 0.174224
H 8.657602 -0.881487 -2.253968
H 2.374462 -3.225946 1.861217
H 7.519703 3.326161 -2.375152
H 4.261602 -4.836716 1.418992
H 9.078409 1.472080 -3.068943
H -7.888499 2.113945 0.133908
H -4.848016 -0.940225 -0.304614
H -9.662490 0.463854 -0.665994
H -6.614015 -2.587474 -1.101890


