%chk=000233126.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233126

0 1
S -0.263635 1.781370 0.426986
O 1.658069 -2.064434 0.832449
O -0.156160 3.231698 0.392009
O 0.401641 1.036432 1.472429
N 0.279425 1.238095 -1.127572
C 1.047411 -0.034912 -1.251331
C 0.134170 -1.187022 -0.890047
C 2.328129 -0.060794 -0.441041
C 0.474080 -2.109063 0.110780
C 2.550926 -1.030123 0.546693
C 0.733083 2.304760 -2.055881
C -1.076613 -1.384483 -1.573243
C 3.346388 0.882555 -0.651781
C -1.943488 1.353858 0.417901
C -0.354832 -3.190253 0.458859
C 3.720609 -1.082869 1.322659
C -1.910900 -2.455219 -1.250844
C 4.520436 0.852586 0.100085
C -1.550355 -3.353145 -0.234594
C 4.703255 -0.124857 1.090531
C -2.362992 0.161395 1.013974
C -2.877051 2.218057 -0.162267
C -3.721292 -0.173373 1.022452
C -4.234426 1.883988 -0.156385
C -4.654541 0.687311 0.435911
H 1.329469 -0.153409 -2.340020
H 0.514482 2.004390 -3.094210
H 0.192424 3.251058 -1.858988
H 1.814157 2.526602 -1.973341
H -1.365780 -0.680056 -2.355867
H 3.207265 1.659244 -1.409580
H -0.047349 -3.871755 1.249103
H 3.829470 -1.849560 2.086405
H -2.845818 -2.595215 -1.788598
H 5.295576 1.595813 -0.073324
H -2.208948 -4.186183 0.011666
H 5.618713 -0.133558 1.682050
H -1.631097 -0.510975 1.478311
H -2.549858 3.161974 -0.609792
H -4.048264 -1.102012 1.486953
H -4.962888 2.555916 -0.606352
H -5.713491 0.427569 0.442652


%chk=000233126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233126

0 1
S -0.395898 1.350991 0.643447
O 1.939140 -2.044210 0.998495
O 0.171135 2.851071 0.966438
O -0.068033 0.100539 1.629024
N 0.056279 0.841677 -1.160600
C 1.064464 -0.301816 -1.244703
C 0.380369 -1.608799 -0.872876
C 2.386384 -0.121310 -0.505567
C 0.825720 -2.394441 0.216148
C 2.722920 -0.946430 0.598376
C 0.393496 2.088116 -1.903068
C -0.742236 -2.063825 -1.604950
C 3.325983 0.869248 -0.891024
C -2.272168 1.501605 0.461853
C 0.173036 -3.591925 0.581211
C 3.904458 -0.746395 1.343144
C -1.405443 -3.259688 -1.261792
C 4.516978 1.076992 -0.167534
C -0.943830 -4.023482 -0.159453
C 4.796781 0.274602 0.965846
C -3.031510 0.321813 0.397465
C -2.820264 2.793196 0.443998
C -4.435087 0.456280 0.295999
C -4.227226 2.905413 0.339807
C -5.028049 1.741982 0.263576
H 1.261131 -0.309045 -2.338708
H 0.661870 1.794198 -2.934128
H -0.504121 2.728700 -1.950797
H 1.218357 2.678561 -1.459917
H -1.105417 -1.448989 -2.436750
H 3.122545 1.483602 -1.774822
H 0.549923 -4.156385 1.438987
H 4.103305 -1.400024 2.197359
H -2.269767 -3.596526 -1.843593
H 5.220899 1.854381 -0.481324
H -1.452034 -4.953039 0.119152
H 5.713775 0.434528 1.542811
H -2.549890 -0.660700 0.433444
H -2.168400 3.668785 0.531995
H -5.061207 -0.440640 0.246068
H -4.692144 3.896704 0.325847
H -6.116823 1.836084 0.186913


