%chk=000014414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014414

0 1
 O   0.2458000     -0.3574000      -1.768200    
 O   -2.522600       2.745800      0.2619000    
 O   0.8866000      0.8909000       2.664100    
 N   0.5448000      0.1195000      0.4882000    
 N  -0.8782000       1.720600       1.478400    
 N    4.206300     -0.5302000      0.1197000    
 C   -1.620500      0.6546000     -0.6011000    
 C   -2.010800       1.176700      -2.006400    
 C  -0.1871000      0.1083000     -0.7111000    
 C   -2.626000     -0.4455000     -0.1900000    
 C   -1.722300       1.819100      0.3868000    
 C    1.796100     -0.6292000      0.5215000    
 C    2.963100      0.2268000      5.1600002E-02
 C   0.2260000      0.8879000       1.622100    
 C   -1.041600       2.237300      -2.481700    
 C   -3.982400     -0.1503000     -0.1398000    
 C   -2.161500      -1.716300      0.1240000    
 C    5.334200      0.2876000     -0.3312000    
 C    4.112300      -1.750900     -0.6836000    
 C   -4.889700      -1.142800      0.2309000    
 C   -3.069000      -2.708800      0.4946000    
 C    5.451400       1.561100      0.4890000    
 C    5.378100      -2.583100     -0.5677000    
 C   -4.433000      -2.421900      0.5480000    
 H   -2.033400      0.3566000      -2.736500    
 H   -3.015900       1.615800      -2.014500    
 H    1.973200     -0.9910000       1.541800    
 H    1.629700      -1.504100     -0.1118000    
 H    2.776300      0.5986000     -0.9647000    
 H    2.995600       1.100900      0.7106000    
 H   -1.031000       2.390200       2.227400    
 H   -1.384000       2.626100      -3.447800    
 H  -2.6699999E-02   1.867700      -2.645800    
 H  -0.9831000       3.094200      -1.804600    
 H   -4.365500      0.8380000     -0.3735000    
 H   -1.115100      -1.996300      9.4800003E-02
 H    5.256300      0.5417000      -1.395900    
 H    6.279300     -0.2456000     -0.1859000    
 H    3.898200      -1.536900      -1.738100    
 H    3.329800      -2.416300     -0.3109000    
 H   -5.951700     -0.9194000      0.2744000    
 H   -2.714300      -3.705500      0.7407000    
 H    6.423000       2.030900      0.2974000    
 H    5.394700       1.360200       1.564400    
 H    4.691800       2.302700      0.2227000    
 H    5.199300      -3.583400     -0.9784000    
 H    5.687500      -2.710200      0.4755000    
 H    6.211100      -2.159200      -1.137100    
 H   -5.139400      -3.194600      0.8368000    


%chk=000014414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014414

0 1
O 0.193428 -0.752361 -1.605427
O -2.750431 2.733699 -0.164110
O 1.013807 1.656059 2.302142
N 0.571575 0.356054 0.395612
N -0.908585 2.099133 1.072541
N 4.267172 -0.381732 -0.129307
C -1.678002 0.585678 -0.754875
C -2.126123 0.801958 -2.236644
C -0.237117 0.034650 -0.719851
C -2.630352 -0.465257 -0.084367
C -1.830692 1.898045 0.036181
C 1.885289 -0.335580 0.544050
C 3.036009 0.436575 -0.146618
C 0.268856 1.371313 1.329764
C -1.285712 1.836462 -3.012578
C -3.959213 -0.084370 0.240070
C -2.227361 -1.805662 0.140398
C 5.506361 0.396269 0.133053
C 4.366878 -1.297557 -1.299343
C -4.860019 -1.023712 0.785647
C -3.132657 -2.742153 0.689274
C 5.630534 0.841836 1.602484
C 5.180372 -2.570882 -0.999178
C -4.451262 -2.357119 1.016046
H -2.075264 -0.180698 -2.736915
H -3.183428 1.118214 -2.213612
H 2.100637 -0.433893 1.618716
H 1.778150 -1.334189 0.092579
H 2.726433 0.708084 -1.183345
H 3.209615 1.377284 0.404619
H -1.068749 2.900499 1.691788
H -1.667632 1.929995 -4.044906
H -0.226713 1.529526 -3.079594
H -1.343017 2.837028 -2.547576
H -4.289598 0.946160 0.069968
H -1.220097 -2.138314 -0.128341
H 5.581141 1.286637 -0.541423
H 6.366179 -0.253492 -0.112079
H 4.800842 -0.771866 -2.186994
H 3.339647 -1.590409 -1.587402
H -5.881227 -0.711476 1.030719
H -2.804229 -3.774093 0.855718
H 6.565558 1.412738 1.755701
H 5.639785 -0.039517 2.267076
H 4.789023 1.488639 1.911069
H 5.206046 -3.230154 -1.887025
H 4.724991 -3.123732 -0.159182
H 6.225485 -2.338448 -0.725237
H -5.150632 -3.084967 1.441710


