%chk=000178866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178866

0 1
 O   -2.020200       2.192100      0.3471000    
 O   -2.614000      -3.505800     -6.6000000E-03
 O   -3.575700      0.8914000     -0.7426000    
 O   -3.972800      -1.650400     -0.1052000    
 N   0.4699000      -1.064500     -0.1170000    
 N  -0.4358000      -2.056300     -7.0299998E-02
 C  -7.8299999E-02  0.1856000     -0.1820000    
 C   -1.440800     -7.7999998E-03 -0.1775000    
 C    1.830500      -1.376000     -9.6199997E-02
 C   0.6903000       1.405100     -0.2400000    
 C   -1.601300      -1.404700     -0.1075000    
 C    2.513800      -1.473400       1.109200    
 C    2.484800      -1.586000      -1.303800    
 C   -2.441300       1.017900     -0.2332000    
 C    1.057600       2.055700      0.9379000    
 C    1.065100       1.934200      -1.474900    
 C    3.873400      -1.785600       1.107500    
 C    1.831200      -1.251700       2.420700    
 C    3.844300      -1.898400      -1.305700    
 C   -2.828700      -2.149300     -7.5000003E-02
 C    4.538600      -1.998100     -0.1001000    
 C    1.799800       3.235400      0.8808000    
 C    1.807300       3.113800      -1.532100    
 C    2.174600       3.764400     -0.3541000    
 C   -2.933600       3.294500      0.3550000    
 C   -2.275000       4.475700       1.035300    
 C   -3.763900      -4.357800      3.0300001E-02
 H    1.956300      -1.511400      -2.250900    
 H   0.7587000       1.668700       1.908300    
 H   0.7863000       1.439500      -2.402400    
 H    4.428000      -1.864100       2.038800    
 H    2.307800      -1.849500       3.206600    
 H    1.901800     -0.2011000       2.713300    
 H   0.7804000      -1.554000       2.412800    
 H    4.362400      -2.063400      -2.245900    
 H    5.597200      -2.240400     -0.1018000    
 H    2.081600       3.744500       1.797900    
 H    2.098900       3.526000      -2.493700    
 H    2.751200       4.683600     -0.3986000    
 H   -3.194700       3.556300     -0.6760000    
 H   -3.840500       3.009400      0.8990000    
 H   -2.949200       5.336100       1.064900    
 H   -1.983800       4.217900       2.059000    
 H   -1.359300       4.762100      0.5075000    
 H   -4.356900      -4.228400     -0.8797000    
 H   -4.365300      -4.139300      0.9175000    
 H   -3.419300      -5.393700      8.3200000E-02


%chk=000178866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178866

0 1
O -2.541297 1.891510 0.819019
O -2.900655 -3.017956 -0.013925
O -2.480131 1.884524 -1.513017
O -3.887158 -0.904039 -0.070965
N 0.689540 -0.995960 -0.217369
N -0.365199 -1.895379 -0.130174
C 0.262419 0.340953 -0.299731
C -1.141938 0.287515 -0.243304
C 2.037409 -1.520648 -0.185517
C 1.153054 1.508935 -0.436937
C -1.482033 -1.100237 -0.145854
C 2.900931 -1.226883 0.904780
C 2.433345 -2.369825 -1.243465
C -2.103865 1.415830 -0.415906
C 0.835662 2.709302 0.258113
C 2.308239 1.479846 -1.265106
C 4.203930 -1.786750 0.863390
C 2.462932 -0.377162 2.081349
C 3.731152 -2.920191 -1.254025
C -2.859075 -1.630293 -0.075212
C 4.622999 -2.616476 -0.199327
C 1.654621 3.849864 0.127637
C 3.127813 2.621475 -1.387393
C 2.806690 3.810465 -0.691935
C -3.662644 2.883567 0.767887
C -4.016671 3.219186 2.212486
C -4.260700 -3.602683 0.057512
H 1.715650 -2.594784 -2.038351
H -0.044651 2.737002 0.909907
H 2.556207 0.574163 -1.827119
H 4.891124 -1.577106 1.691454
H 3.090292 -0.585840 2.964284
H 2.548932 0.702271 1.855569
H 1.410039 -0.569694 2.351964
H 4.040472 -3.578943 -2.072013
H 5.634835 -3.036388 -0.196949
H 1.397166 4.766545 0.669450
H 4.011915 2.584896 -2.033077
H 3.443832 4.696123 -0.791122
H -3.326174 3.765508 0.193104
H -4.498625 2.409346 0.223697
H -4.853571 3.941032 2.233908
H -4.325042 2.312056 2.759100
H -3.157149 3.669162 2.739043
H -4.845412 -3.323026 -0.835169
H -4.785250 -3.244480 0.959489
H -4.092557 -4.687533 0.099618


