%chk=000114341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114341

0 1
S -1.199833 -1.460793 -0.603599
O -0.390625 -1.734848 0.575193
O -1.764574 -2.567465 -1.354140
N -0.225658 -0.642419 -1.771479
N -5.325816 2.507946 0.835840
N 7.512625 -0.522855 1.757287
C 2.055113 -0.485326 -0.693435
C 3.159886 0.493870 -0.283868
C 0.847728 0.258596 -1.291682
C 4.352154 -0.249761 0.330841
C -2.400567 -0.315495 -0.189440
C 5.455768 0.732545 0.757594
C -3.377871 0.058325 -1.123932
C -2.423638 0.241303 1.098840
C -4.364881 0.976732 -0.792804
C -3.397183 1.161441 1.459678
C -4.379117 1.541697 0.508209
C 6.600257 0.031469 1.314677
H 1.723777 -1.082310 0.189686
H 2.447153 -1.225556 -1.415648
H 3.491530 1.080778 -1.162606
H 2.759011 1.228399 0.442486
H 0.419256 0.960643 -0.540971
H 1.172846 0.888599 -2.151986
H 4.758938 -0.984228 -0.392933
H 4.018491 -0.846044 1.205084
H 0.070371 -1.198918 -2.583973
H 5.782453 1.348943 -0.112626
H 5.058368 1.455985 1.507924
H -3.369295 -0.382923 -2.127309
H -1.663876 -0.061558 1.832465
H -5.114420 1.261620 -1.524897
H -3.404504 1.587410 2.458360
H -5.453177 2.780111 1.795662
H -6.120991 2.653990 0.237504


%chk=000114341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114341

0 1
S -0.936742 -0.279056 0.318210
O -0.410084 0.006210 1.835703
O -0.819310 -1.766679 -0.354544
N -0.015246 1.002767 -0.744707
N -6.726671 1.426727 -0.134940
N 8.004397 -2.293375 -0.226807
C 2.379047 0.086014 -0.533833
C 3.779090 0.386243 0.046003
C 1.370475 1.219008 -0.238407
C 4.798995 -0.728558 -0.272387
C -2.708545 0.269286 0.163553
C 6.190883 -0.425709 0.351151
C -3.562663 -0.472200 -0.672315
C -3.147990 1.378342 0.909778
C -4.909791 -0.083479 -0.770428
C -4.494889 1.763243 0.808380
C -5.395480 1.041966 -0.036557
C 7.198735 -1.453614 0.038276
H 1.994810 -0.859838 -0.103919
H 2.453883 -0.069520 -1.630539
H 4.151549 1.352888 -0.354227
H 3.696113 0.509117 1.145484
H 1.286043 1.382263 0.852447
H 1.704249 2.174916 -0.689962
H 4.906954 -0.840860 -1.368054
H 4.429597 -1.697270 0.113451
H -0.023356 0.578788 -1.695642
H 6.562939 0.552089 -0.012997
H 6.099886 -0.343382 1.451692
H -3.179456 -1.345608 -1.210133
H -2.456099 1.915022 1.566152
H -5.593591 -0.651000 -1.411902
H -4.859158 2.622404 1.383172
H -7.082226 2.218823 0.392821
H -7.376648 0.913934 -0.723976


