%chk=000195989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195989

0 1
S 3.027934 -3.849818 0.331950
O 0.262085 -0.370185 1.531469
O -2.153186 -3.292859 0.431885
O -2.150418 1.619299 -1.227198
N -0.182706 -0.550419 -0.726225
N -1.116400 2.241288 0.693911
N -2.904699 -1.462333 -0.703540
C -0.471038 -2.002342 -0.772936
C 0.182237 1.691785 0.236679
C -4.934827 0.814843 -0.756605
C -4.825058 -0.257728 0.334874
C -4.813286 2.255281 -0.244780
C 0.560700 -2.841173 0.004635
C 1.348683 2.267292 1.055633
C -4.302557 -1.594003 -0.217921
C -3.541585 2.547182 0.564672
C 0.104594 0.149679 0.443768
C -1.901073 -2.310889 -0.243542
C -2.264430 2.087953 -0.102271
C 2.666733 1.846937 0.459516
C 1.924715 -2.792674 -0.664817
C 3.229646 0.610261 0.811413
C 3.332986 2.682665 -0.447927
C 4.451398 0.216887 0.261565
C 4.556601 2.283682 -0.994388
C 5.117697 1.052661 -0.641348
C 4.485712 -3.973663 -0.730118
H -0.453244 -2.313499 -1.855554
H 0.319648 1.951033 -0.849591
H -5.898037 0.701665 -1.291926
H -4.152510 0.657547 -1.534476
H -4.163088 0.081166 1.156050
H -5.813042 -0.421607 0.806905
H -5.691164 2.506769 0.383949
H -4.852085 2.939486 -1.118697
H 0.180550 -3.885956 0.085120
H 0.617528 -2.480168 1.061095
H 1.283606 1.916570 2.111662
H 1.272916 3.373167 1.099108
H -4.349943 -2.388096 0.566895
H -4.933276 -1.944665 -1.065773
H -3.633677 2.062845 1.562762
H -3.483113 3.639564 0.762663
H -0.414189 -0.026856 -1.576202
H -1.174505 2.501214 1.674956
H -2.691824 -0.573831 -1.167988
H 1.884729 -3.159431 -1.705262
H 2.323471 -1.759737 -0.691673
H 2.708544 -0.048251 1.513454
H 2.903560 3.642201 -0.727360
H 4.884388 -0.743420 0.542335
H 5.073818 2.935758 -1.696249
H 6.071586 0.746733 -1.065576
H 5.245302 -4.549610 -0.184398
H 4.905691 -2.991721 -0.967278
H 4.265700 -4.501679 -1.663406


%chk=000195989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195989

0 1
S 3.280074 -3.801720 0.059861
O -0.046620 -0.411635 1.582046
O -2.184633 -3.588174 0.290690
O -2.132443 1.746877 -1.516375
N -0.222659 -0.645257 -0.742207
N -1.201632 2.233252 0.546646
N -2.836149 -1.421566 -0.265463
C -0.505893 -2.100180 -0.763550
C 0.099899 1.619815 0.199753
C -4.954629 0.757007 -0.701454
C -4.758959 -0.111806 0.572649
C -4.858827 2.291842 -0.502689
C 0.601670 -2.952110 -0.095256
C 1.233768 2.197928 1.082859
C -4.213401 -1.522421 0.252965
C -3.575023 2.807467 0.202228
C -0.039641 0.084768 0.414500
C -1.916327 -2.439054 -0.171514
C -2.266365 2.219418 -0.336834
C 2.609011 1.731754 0.619469
C 1.924691 -2.855977 -0.869728
C 3.149736 0.501170 1.074581
C 3.359342 2.506041 -0.303282
C 4.408469 0.052884 0.614686
C 4.620611 2.062702 -0.762006
C 5.148523 0.832453 -0.304666
C 4.667293 -3.566831 -1.190474
H -0.554975 -2.381282 -1.836309
H 0.292097 1.844053 -0.864691
H -5.942215 0.525542 -1.146306
H -4.207124 0.480653 -1.467052
H -4.050465 0.368644 1.275332
H -5.717864 -0.212864 1.115833
H -5.724400 2.657058 0.085498
H -4.928900 2.765103 -1.499827
H 0.236882 -3.993345 -0.060855
H 0.730611 -2.615103 0.946883
H 1.050980 1.871645 2.124653
H 1.168352 3.301545 1.043776
H -4.189683 -2.162268 1.153320
H -4.865631 -2.030159 -0.487142
H -3.630446 2.622700 1.292907
H -3.529759 3.908768 0.080722
H -0.290495 -0.116259 -1.615975
H -1.356497 2.489577 1.524404
H -2.540048 -0.530159 -0.673873
H 1.834288 -3.305882 -1.876646
H 2.260495 -1.807980 -0.966311
H 2.580483 -0.108180 1.785810
H 2.958540 3.465044 -0.656486
H 4.800560 -0.904982 0.974746
H 5.191428 2.676279 -1.468340
H 6.129114 0.490422 -0.655061
H 5.564003 -4.045989 -0.766861
H 4.859781 -2.492751 -1.349604
H 4.408802 -4.051678 -2.146078


