%chk=000202501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202501

0 1
S -0.058915 -1.603580 1.566018
O -0.876577 -2.759353 1.272622
O 0.440242 -1.382441 2.908083
N -1.005417 -0.188201 1.219209
N -0.822398 3.710847 -0.189558
N -0.269752 4.374919 0.864463
C -0.956813 0.946329 2.199956
C -1.625979 0.013590 -0.043562
C -0.747048 2.236018 1.497224
C -1.696921 1.315209 -0.630853
C -1.133852 2.395393 0.151695
C 1.232757 -1.518536 0.436625
C -2.165595 -1.081611 -0.747146
C -0.213118 3.491374 1.905581
C -2.296888 1.484779 -1.883404
C -2.749512 -0.887678 -1.997295
C -2.815244 0.387192 -2.571801
C 2.371054 -0.756250 0.731163
C 1.160322 -2.217482 -0.774054
C 3.423222 -0.683981 -0.179042
C 2.209633 -2.149853 -1.690273
C 3.349148 -1.379965 -1.400163
C 4.480150 -1.299183 -2.368469
H -0.158925 0.755237 2.959957
H -1.929262 0.966913 2.754299
H -2.169653 -2.084022 -0.300023
H 0.183142 3.763529 2.869493
H -2.362447 2.478134 -2.323710
H -0.955922 4.173798 -1.074069
H -3.170474 -1.742479 -2.528604
H -3.277381 0.522879 -3.546513
H 2.440672 -0.219431 1.684135
H 0.277832 -2.826704 -1.003647
H 4.304598 -0.089237 0.055128
H 2.144030 -2.696260 -2.629430
H 4.276584 -1.819406 -3.314317
H 4.721197 -0.255613 -2.622294
H 5.395507 -1.744972 -1.948525


%chk=000202501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202501

0 1
S -0.165540 -1.656852 1.733156
O -0.823034 -3.117325 1.424418
O 0.469988 -1.280650 3.197649
N -1.748125 -0.229391 1.488325
N -0.028589 3.187725 -0.256085
N 0.606960 3.826652 0.804516
C -1.348055 0.943814 2.316155
C -1.966815 -0.044596 0.101731
C -0.631291 2.019290 1.550588
C -1.536336 1.129871 -0.622522
C -0.777838 2.095675 0.149155
C 1.182621 -1.389806 0.428071
C -2.647193 -1.084630 -0.595117
C 0.225492 3.100080 1.905566
C -1.850021 1.248875 -1.999939
C -2.923250 -0.956907 -1.968104
C -2.534502 0.215370 -2.669688
C 2.140587 -0.383743 0.642521
C 1.176642 -2.220678 -0.702615
C 3.143677 -0.212780 -0.334121
C 2.191956 -2.027227 -1.667413
C 3.184158 -1.027017 -1.499721
C 4.281986 -0.835227 -2.530116
H -0.748271 0.551998 3.165541
H -2.293034 1.321721 2.761104
H -2.953108 -1.969345 -0.028470
H 0.586701 3.400579 2.887289
H -1.560335 2.150914 -2.552784
H 0.138554 3.534061 -1.197805
H -3.455986 -1.756810 -2.492837
H -2.772009 0.319644 -3.733749
H 2.116274 0.230712 1.548287
H 0.417109 -3.001943 -0.807486
H 3.907620 0.559414 -0.185932
H 2.212704 -2.665705 -2.557804
H 4.121407 -1.468032 -3.419098
H 4.339702 0.216461 -2.866104
H 5.271191 -1.094288 -2.107662


