%chk=000296398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296398

0 1
S 5.639071 -1.126692 -0.709629
O -3.726163 -0.683577 0.796264
O -5.620943 0.297744 -0.148188
O -3.415644 -0.009176 -2.055158
N -0.457654 0.271630 0.127146
N 0.759808 -0.293050 -0.125802
N 2.445154 -1.760654 -0.699595
N 2.218568 1.710545 0.405000
N 4.595660 1.218480 0.094059
C -3.434522 0.948910 -1.003884
C -2.837155 0.344697 0.297027
C -4.882669 1.392758 -0.724587
C -5.064067 -0.210496 1.075970
C -1.556705 -0.409562 0.014652
C -5.867410 -1.443161 1.417795
C 1.971635 0.422059 0.016383
C 3.009095 -0.521170 -0.347142
C 1.129278 -1.623801 -0.570233
C 4.340098 -0.051679 -0.287475
C 3.534127 2.039690 0.421429
C 7.127589 -0.137609 -0.498835
H -2.797853 1.774797 -1.398083
H -2.709329 1.122190 1.086057
H -4.942299 2.274925 -0.067041
H -5.438516 1.583582 -1.664280
H -5.022633 0.587584 1.839611
H -1.707582 -1.461259 -0.265949
H -6.358608 -1.361839 2.393448
H -6.646454 -1.625379 0.658494
H -5.224072 -2.338477 1.433894
H -4.025841 -0.759050 -1.824044
H 0.385544 -2.385225 -0.765962
H 3.792097 3.067980 0.726838
H 7.239884 0.221773 0.533602
H 7.128823 0.747352 -1.150469
H 7.990589 -0.766239 -0.752012


%chk=000296398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296398

0 1
S 5.750144 -1.062988 -0.918730
O -3.614503 -0.683760 0.743201
O -5.730087 0.213839 -0.009708
O -3.864815 -0.444811 -2.174178
N -0.444591 0.302153 -0.054377
N 0.794447 -0.245105 -0.415174
N 2.473416 -1.547970 -1.290143
N 2.192983 1.463559 0.750969
N 4.593967 1.019297 0.475548
C -3.686232 0.711475 -1.293124
C -2.843410 0.321655 -0.040751
C -5.052152 1.252499 -0.822027
C -4.912789 -0.126111 1.162512
C -1.537641 -0.322306 -0.407796
C -5.641645 -1.184907 1.964880
C 2.003894 0.351497 -0.004284
C 3.027607 -0.477657 -0.555882
C 1.148746 -1.382660 -1.186723
C 4.365978 -0.093098 -0.280065
C 3.517836 1.729966 0.944304
C 7.189188 -0.066447 -0.225766
H -3.149480 1.463874 -1.895752
H -2.649728 1.223806 0.575851
H -4.929249 2.182464 -0.226641
H -5.716973 1.437567 -1.679060
H -4.719334 0.810103 1.738518
H -1.601688 -1.269883 -0.964793
H -6.620082 -0.798152 2.293939
H -5.802740 -2.081829 1.344498
H -5.045351 -1.463999 2.848807
H -4.471018 -1.073736 -1.699359
H 0.412407 -2.034818 -1.648818
H 3.752485 2.613962 1.543864
H 7.132231 -0.045295 0.870980
H 7.154668 0.958679 -0.618836
H 8.094411 -0.592261 -0.566584


