%chk=000188322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188322

0 1
S -0.559498 -1.294842 0.160802
O 0.947398 3.091097 1.232431
O -0.252701 -1.524855 1.559847
O -0.229943 -2.280793 -0.847570
O 1.776917 2.635516 -0.824568
N 0.317438 0.125956 -0.303833
N 7.074030 -1.032065 -0.592510
C 2.494620 0.153248 1.027887
C 1.128663 0.801263 0.727113
C 3.389913 -0.027403 -0.201978
C 4.815352 -0.417554 0.205828
C 1.340387 2.237443 0.226890
C 5.701026 -0.640568 -1.031200
C -2.203659 -0.824034 -0.002552
C -2.874879 -1.030536 -1.213979
C -2.878158 -0.239712 1.076230
C -4.887918 -0.057660 -0.271198
C -4.208880 -0.649436 -1.351348
C -4.212253 0.143835 0.945686
C -6.310168 0.365556 -0.419997
C 1.079914 4.515060 0.979008
H 2.314329 -0.833258 1.512363
H 3.016427 0.759334 1.796511
H 0.537611 0.836075 1.691321
H 3.409828 0.906917 -0.802708
H 2.966574 -0.806667 -0.866767
H 4.804549 -1.343480 0.817731
H 5.255767 0.362876 0.855047
H 0.797824 0.101208 -1.218193
H 5.688448 0.262902 -1.678511
H 5.291542 -1.477660 -1.641186
H -2.354745 -1.502424 -2.055947
H -2.361615 -0.091253 2.031292
H 7.671908 -1.179533 -1.399695
H 7.498505 -0.293914 -0.039947
H -4.724507 -0.812190 -2.296148
H -4.730508 0.598146 1.788212
H -6.861729 0.335934 0.530308
H -6.370472 1.400347 -0.793670
H -6.865232 -0.263582 -1.130318
H 0.704836 4.959934 1.906374
H 0.468077 4.791028 0.114436
H 2.131883 4.759446 0.802808


%chk=000188322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188322

0 1
S -0.460419 -0.808295 0.696256
O 1.959770 3.630635 1.688309
O -0.380290 -0.908964 2.320157
O 0.282213 -1.908743 -0.257803
O 1.415437 3.188070 -0.534093
N 0.094549 0.912601 0.313364
N 6.403518 -1.556214 -1.176853
C 2.506777 0.554410 1.218190
C 1.197634 1.411907 1.182301
C 3.129203 0.234327 -0.158515
C 4.474147 -0.513269 -0.009609
C 1.504682 2.816300 0.659060
C 5.100272 -0.887933 -1.368318
C -2.263756 -0.732906 0.160948
C -2.609098 -1.323741 -1.062878
C -3.193323 -0.130618 1.023943
C -4.950736 -0.685696 -0.618118
C -3.969873 -1.292427 -1.444657
C -4.544669 -0.115098 0.619688
C -6.406545 -0.637833 -1.044197
C 2.369553 5.002846 1.292111
H 2.263873 -0.387197 1.747296
H 3.237556 1.095157 1.851804
H 0.808037 1.494201 2.210077
H 3.287042 1.165261 -0.740013
H 2.433036 -0.402377 -0.740244
H 4.336200 -1.441107 0.577082
H 5.187926 0.121674 0.559101
H 0.321650 0.971076 -0.697263
H 5.151475 0.032003 -2.004318
H 4.426058 -1.595898 -1.887442
H -1.844881 -1.811474 -1.676746
H -2.874034 0.291847 1.981603
H 6.780521 -2.007141 -2.015602
H 7.103507 -0.972599 -0.707405
H -4.270802 -1.749369 -2.394026
H -5.294860 0.344120 1.273787
H -7.080624 -0.894810 -0.207601
H -6.684024 0.377977 -1.385498
H -6.610754 -1.334649 -1.874508
H 2.720593 5.467925 2.223308
H 1.507242 5.547621 0.873435
H 3.173123 4.958103 0.538191


