%chk=000248315.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248315

0 1
S 2.373716 -2.421081 0.203767
O -3.435136 0.668668 0.238385
O 1.169796 -1.161326 0.020823
O 2.297023 -3.278800 -0.943951
O 2.271213 -2.932423 1.540611
N -0.059492 -1.793318 0.050158
C -2.104087 1.190863 0.584395
C -1.011749 0.505670 -0.238001
C -1.082207 -0.991281 -0.071400
C -2.440733 -1.557593 -0.071824
C -2.187971 2.669830 0.294466
C -3.545200 -0.689918 0.068268
C -2.697157 -2.930588 -0.239782
C -1.417617 3.560372 1.056853
C -3.013463 3.154117 -0.728572
C -4.871145 -1.157432 0.020234
C -4.006494 -3.406687 -0.280755
C -5.087720 -2.520559 -0.156598
C -1.471245 4.930231 0.787430
C -3.067199 4.526365 -0.989476
C -2.295093 5.414635 -0.234695
C 3.703361 -1.342478 0.068546
C 4.254912 -0.760589 1.216972
C 4.244538 -1.049019 -1.189475
C 5.878093 0.414335 -0.151325
C 5.335726 0.113220 1.111164
C 5.325316 -0.175870 -1.302182
C 7.043070 1.337710 -0.267151
H -1.988692 0.980462 1.673766
H -0.009744 0.891757 0.053224
H -1.116698 0.753994 -1.317966
H -1.855899 -3.623331 -0.341967
H -0.779517 3.190432 1.857450
H -3.620985 2.454269 -1.306025
H -5.692393 -0.452864 0.126060
H -4.191901 -4.470769 -0.410788
H -6.107947 -2.904332 -0.195259
H -0.872628 5.622435 1.377283
H -3.712904 4.902154 -1.781763
H -2.336560 6.482914 -0.439847
H 3.841033 -0.997832 2.204543
H 3.822863 -1.512096 -2.089695
H 5.761673 0.559891 2.007903
H 5.742704 0.046328 -2.282823
H 7.054916 1.885808 -1.219960
H 7.068376 2.089629 0.534209
H 7.990149 0.776899 -0.209334


%chk=000248315-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248315

0 1
S 2.468521 -2.514909 0.289511
O -3.585003 0.673084 -0.048406
O 1.055389 -1.174433 -0.040151
O 2.457378 -3.590885 -0.916840
O 2.382816 -2.986224 1.834542
N -0.201094 -1.863285 0.031685
C -2.297758 1.179482 0.505480
C -1.111722 0.474590 -0.190711
C -1.227979 -1.032236 -0.045829
C -2.587485 -1.607015 -0.040896
C -2.275493 2.683852 0.316096
C -3.711075 -0.728172 -0.082764
C -2.827085 -3.009654 -0.068411
C -1.656988 3.505139 1.289806
C -2.814953 3.277485 -0.851678
C -5.027113 -1.234204 -0.178167
C -4.134321 -3.518313 -0.148598
C -5.237229 -2.625849 -0.213033
C -1.565191 4.901663 1.095581
C -2.731169 4.674336 -1.041953
C -2.101702 5.490290 -0.072682
C 3.868716 -1.294574 0.060870
C 4.342389 -0.613106 1.193414
C 4.393839 -1.122448 -1.230026
C 5.984326 0.503711 -0.271997
C 5.411650 0.290078 1.010491
C 5.462155 -0.212643 -1.382407
C 7.151954 1.456061 -0.447613
H -2.281554 0.926682 1.586577
H -0.157185 0.828585 0.236765
H -1.106560 0.748833 -1.264416
H -1.962717 -3.680367 -0.042109
H -1.250690 3.054129 2.204140
H -3.319803 2.644627 -1.588695
H -5.859978 -0.525391 -0.210732
H -4.300475 -4.600121 -0.169760
H -6.258182 -3.016764 -0.282832
H -1.086217 5.528268 1.856187
H -3.158834 5.127498 -1.943392
H -2.037564 6.573906 -0.222242
H 3.902204 -0.793683 2.179068
H 3.992250 -1.686740 -2.077407
H 5.804347 0.836337 1.875386
H 5.893449 -0.056321 -2.377538
H 7.150497 1.920338 -1.448781
H 7.136152 2.261674 0.306260
H 8.113989 0.919492 -0.335896


