%chk=000232589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232589

0 1
S 3.090901 1.795735 0.002993
O 3.395995 2.462540 -1.258129
O 3.396228 2.456727 1.267150
N -2.736468 0.606394 0.001363
N 5.756289 -3.493032 -0.009883
C 1.396577 1.411639 0.002470
C 3.875690 0.258821 -0.000731
C 0.711764 1.273170 -1.208650
C 0.710974 1.274120 1.213252
C 4.216164 -0.354867 -1.213012
C 4.214309 -0.361699 1.208586
C -1.326472 0.796527 0.001829
C -0.645463 0.955129 -1.221975
C -0.646266 0.956083 1.225943
C 4.858079 -1.587022 -1.233309
C 4.856205 -1.593952 1.222908
C 5.176945 -2.221145 -0.006735
C -4.790898 -0.645288 0.001989
C -3.312352 -0.550068 0.002536
C -5.383294 -1.921250 0.002377
C -5.604738 0.498838 0.001117
C -6.773473 -2.045437 0.001894
C -6.996286 0.367027 0.000645
C -7.581538 -0.902190 0.001031
H 1.240601 1.424788 -2.156924
H 1.239291 1.426458 2.161750
H 3.985153 0.148377 -2.159924
H 3.981849 0.136162 2.157971
H -1.181931 0.856102 -2.163283
H -1.183321 0.857798 2.166991
H 5.111446 -2.056535 -2.178584
H 5.108132 -2.068790 2.165905
H -2.786577 -1.522052 0.003950
H 6.177969 -3.835810 -0.857366
H 6.176685 -3.840588 0.836290
H -4.762225 -2.815843 0.003046
H -5.144624 1.490987 0.000797
H -7.230568 -3.033801 0.002189
H -7.623831 1.257526 -0.000029
H -8.666120 -1.002877 0.000662


%chk=000232589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232589

0 1
S 3.113152 1.737005 0.321432
O 3.517057 2.693683 -0.948271
O 3.319160 2.176869 1.888649
N -2.837947 0.578873 -0.374588
N 6.187578 -3.446884 -0.415448
C 1.271865 1.337486 0.121757
C 4.027571 0.113954 0.088544
C 0.705689 1.424820 -1.162186
C 0.525838 1.048848 1.275447
C 4.463727 -0.233614 -1.202109
C 4.315338 -0.666548 1.221958
C -1.456051 0.808341 -0.163634
C -0.671416 1.165827 -1.297300
C -0.849389 0.775933 1.128281
C 5.184845 -1.428713 -1.370119
C 5.037255 -1.861030 1.051598
C 5.476073 -2.263847 -0.247492
C -4.945093 -0.531749 0.147227
C -3.493328 -0.338567 0.294029
C -5.590305 -1.562134 0.884872
C -5.717268 0.293040 -0.719340
C -6.981078 -1.766179 0.761779
C -7.104313 0.087025 -0.840633
C -7.740918 -0.942305 -0.101225
H 1.321941 1.724591 -2.016089
H 1.008287 1.073193 2.258408
H 4.265901 0.435179 -2.046480
H 4.003152 -0.326190 2.215046
H -1.166505 1.235177 -2.270359
H -1.464029 0.580529 2.013978
H 5.535817 -1.717387 -2.367706
H 5.274572 -2.483022 1.922533
H -2.979778 -1.036645 0.990449
H 6.519304 -3.730799 -1.332732
H 6.413125 -4.037781 0.379531
H -4.998177 -2.200934 1.552652
H -5.203085 1.080241 -1.280028
H -7.471405 -2.561589 1.333364
H -7.695380 0.723459 -1.508349
H -8.820979 -1.099452 -0.198345


