%chk=000235965.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235965

0 1
S 0.409257 -1.944503 0.217683
O 0.777003 -2.712213 1.384893
O -0.173688 -2.583269 -0.941667
O -3.052604 2.281218 2.676916
O -1.533839 0.692468 3.038500
N -0.767006 -0.821860 0.863266
N 4.849037 1.561132 -1.419245
C 1.689535 -0.931157 -0.259883
C -1.702073 -0.066836 0.156875
C -2.439437 0.966663 0.807922
C 2.675775 -0.556752 0.669747
C 1.781647 -0.472965 -1.585071
C -1.931933 -0.296094 -1.228839
C 3.728033 0.265629 0.301654
C 2.821168 0.350813 -1.985482
C 3.809369 0.733354 -1.038042
C -3.357840 1.741568 0.060307
C -2.835744 0.481340 -1.927353
C -3.551860 1.516253 -1.289912
C -2.263624 1.240767 2.227497
H -0.777357 -0.698336 1.908645
H 2.615898 -0.927054 1.701769
H 1.022458 -0.776961 -2.317047
H -1.435612 -1.130793 -1.738413
H 4.482740 0.548266 1.029734
H 2.880484 0.698748 -3.012325
H -3.914708 2.529789 0.578702
H -3.007758 0.290189 -2.988958
H -4.255557 2.117584 -1.858529
H 4.935382 1.894841 -2.361692
H 5.565045 1.835708 -0.771748
H -2.922092 2.445464 3.650397


%chk=000235965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235965

0 1
S 0.387717 -1.940985 0.325719
O 0.835189 -2.666702 1.705895
O -0.197744 -2.768500 -0.946722
O -3.375509 2.066911 2.872050
O -1.786299 0.406906 3.111404
N -0.864800 -0.752607 0.938774
N 4.996760 1.474679 -1.621610
C 1.794917 -0.875519 -0.285899
C -1.751003 0.014335 0.191807
C -2.593695 0.972389 0.875978
C 2.688689 -0.349906 0.666424
C 1.942423 -0.663437 -1.668383
C -1.865916 -0.096412 -1.227464
C 3.759962 0.437730 0.215588
C 3.017021 0.124606 -2.114216
C 3.937473 0.693185 -1.180506
C -3.490510 1.785056 0.126064
C -2.758410 0.723821 -1.934798
C -3.574779 1.676324 -1.268844
C -2.526108 1.093631 2.335807
H -0.908231 -0.685097 1.977437
H 2.558814 -0.569932 1.731009
H 1.247991 -1.126751 -2.376319
H -1.290693 -0.863622 -1.752246
H 4.469270 0.854571 0.939544
H 3.152978 0.298991 -3.187549
H -4.114382 2.497481 0.673144
H -2.831018 0.610704 -3.022553
H -4.268232 2.305881 -1.834259
H 5.135617 1.657256 -2.611499
H 5.661083 1.873499 -0.964231
H -3.268477 2.064512 3.860756


