%chk=000203321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203321

0 1
S -0.221896 2.497060 -1.191637
N -1.490751 0.189959 -0.993219
N 0.839253 -0.016937 -0.590652
C -1.780181 -1.235553 -0.650384
C -1.823322 -1.476998 0.874211
C -3.110498 -1.635769 -1.322409
C 2.235578 0.460260 -0.632262
C -3.052971 -0.850117 1.539248
C -4.339578 -1.027033 -0.636094
C -4.350478 -1.322646 0.869495
C 2.710422 0.906819 0.771379
C 3.114245 -0.694951 -1.169245
C 2.827398 -0.266048 1.751176
C 3.239908 -1.850475 -0.168646
C 3.748223 -1.360840 1.194115
C -0.197598 0.696952 -0.830490
C 0.015289 3.195309 0.485138
C 0.280237 4.672279 0.302194
H -0.949352 -1.857427 -1.085086
H -0.894313 -1.088521 1.336340
H -1.813245 -2.568283 1.059246
H -3.186586 -2.740441 -1.310438
H -3.091893 -1.343123 -2.390878
H 2.345843 1.334407 -1.333171
H -2.986277 0.253248 1.495668
H -3.068612 -1.109735 2.614713
H -5.260322 -1.424537 -1.104157
H -4.365767 0.066353 -0.805730
H -4.481642 -2.409300 1.035715
H -5.221216 -0.833538 1.343978
H 2.015757 1.674106 1.178874
H 3.692419 1.406199 0.666005
H 4.115476 -0.292693 -1.411402
H 2.687858 -1.071894 -2.118914
H 1.820384 -0.690896 1.937053
H 3.204684 0.090941 2.726169
H 3.914059 -2.627055 -0.571910
H 2.246283 -2.327985 -0.043779
H 4.780100 -0.974782 1.097152
H 3.800900 -2.206842 1.903545
H -2.262507 0.833909 -0.805731
H -0.888100 3.011241 1.093251
H 0.868007 2.681404 0.987544
H 1.181726 4.862679 -0.297852
H -0.553166 5.186698 -0.197678
H 0.427826 5.168994 1.271257


%chk=000203321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203321

0 1
S -0.176467 2.494139 -1.422762
N -1.424430 0.137954 -0.826694
N 0.852050 0.066179 -0.225099
C -1.710724 -1.269699 -0.466502
C -1.878017 -1.449570 1.069110
C -2.977147 -1.751183 -1.217196
C 2.233252 0.578080 -0.227321
C -3.165592 -0.773935 1.594497
C -4.275248 -1.090963 -0.686187
C -4.419252 -1.285474 0.842926
C 2.778305 0.629858 1.227671
C 3.126767 -0.354702 -1.094380
C 2.916426 -0.780846 1.847062
C 3.267889 -1.766091 -0.478782
C 3.809510 -1.691237 0.969487
C -0.166715 0.699359 -0.709048
C 0.046474 3.457768 0.211110
C 0.000650 4.962246 -0.089006
H -0.831471 -1.858464 -0.791646
H -0.980196 -1.047141 1.572598
H -1.915312 -2.537113 1.286882
H -3.055383 -2.847529 -1.077320
H -2.860234 -1.571123 -2.303393
H 2.268772 1.598899 -0.671624
H -3.081117 0.324484 1.462312
H -3.270710 -0.955258 2.681535
H -5.150175 -1.518063 -1.212989
H -4.279568 -0.004456 -0.917513
H -4.556188 -2.365859 1.058154
H -5.326842 -0.767988 1.209811
H 2.112938 1.259725 1.850329
H 3.772884 1.122471 1.204674
H 4.129212 0.114442 -1.178348
H 2.704986 -0.414398 -2.115634
H 1.908111 -1.231325 1.928536
H 3.331054 -0.705338 2.871468
H 3.934205 -2.388056 -1.108171
H 2.272279 -2.250902 -0.469885
H 4.843290 -1.285000 0.953428
H 3.869714 -2.706077 1.409235
H -2.176997 0.743811 -1.152980
H -0.765128 3.152883 0.892308
H 1.013696 3.163390 0.649819
H 0.805460 5.254362 -0.786821
H -0.965755 5.253197 -0.537714
H 0.132348 5.538941 0.845766


