%chk=000237045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237045

0 1
S -0.324534 -1.503895 -0.972642
O -0.554216 -1.268875 -2.385789
O 0.258180 -2.785578 -0.593989
O -3.255985 2.487666 -0.781496
N -1.477755 1.117885 -0.304219
C 0.613091 -0.173714 -0.355372
C -0.048227 1.018290 -0.121107
C -1.803312 -1.294407 -0.098204
C -2.289584 0.001062 0.133407
C 2.021743 -0.261824 -0.137927
C 2.720678 0.901410 0.298774
C 0.643108 2.175352 0.352896
C 1.999574 2.108605 0.546546
C -2.537887 -2.395920 0.346361
C -3.521186 0.203815 0.775482
C 2.774754 -1.463797 -0.339104
C -2.091251 2.242554 -0.986640
C 4.137380 0.849166 0.497023
C -3.759880 -2.207061 0.995895
C -4.249702 -0.909977 1.197128
C 4.131769 -1.484971 -0.140613
C 4.828834 -0.314037 0.278006
C -1.217549 2.984081 -1.943411
H 0.087803 3.082793 0.583256
H 2.548203 2.982603 0.906444
H -2.149409 -3.408775 0.186107
H -3.909729 1.214996 0.924861
H 2.256308 -2.389864 -0.636253
H 4.651998 1.751853 0.825052
H -4.333273 -3.065797 1.340530
H -5.210962 -0.764454 1.694449
H 4.698515 -2.404247 -0.297860
H 5.906745 -0.365227 0.421883
H -1.841219 3.538603 -2.667273
H -0.562692 2.318792 -2.532847
H -0.573330 3.724296 -1.448255


%chk=000237045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237045

0 1
S -0.386505 -1.522188 -1.181852
O -0.720906 -1.081622 -2.718765
O 0.208859 -3.020219 -0.889897
O -3.345204 2.351460 -1.109859
N -1.497714 1.118290 -0.371625
C 0.656766 -0.134197 -0.407704
C -0.070451 1.040392 -0.169336
C -1.901978 -1.288867 -0.091860
C -2.316010 0.041177 0.133503
C 2.059839 -0.262178 -0.154160
C 2.739457 0.908268 0.377075
C 0.617733 2.163588 0.395711
C 1.985227 2.096950 0.643073
C -2.572564 -2.412562 0.405712
C -3.504599 0.245859 0.873114
C 2.820664 -1.452740 -0.411403
C -2.101261 2.168424 -1.141034
C 4.147744 0.844215 0.628392
C -3.756267 -2.193707 1.146458
C -4.217174 -0.872650 1.361124
C 4.194141 -1.472655 -0.158512
C 4.865775 -0.322749 0.363510
C -1.178233 2.976965 -2.041506
H 0.042972 3.057839 0.654230
H 2.501694 2.962022 1.074322
H -2.175936 -3.414591 0.212217
H -3.860363 1.261696 1.051382
H 2.311680 -2.343697 -0.791172
H 4.652424 1.729969 1.031284
H -4.316229 -3.044726 1.546388
H -5.137510 -0.707027 1.931054
H 4.765656 -2.384977 -0.359126
H 5.943186 -0.364008 0.555147
H -1.804867 3.418738 -2.831063
H -0.395268 2.348733 -2.497357
H -0.687777 3.802177 -1.496365


