%chk=000296984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296984

0 1
S 2.011696 0.557668 -2.015915
O -5.172197 -0.830313 -1.091416
O -4.721568 1.162039 -0.156818
N 3.242886 -0.410511 0.588206
N -3.198900 -0.879102 1.300899
C 1.819073 -0.441171 0.542539
C 3.981782 0.602433 -0.093452
C 1.132306 0.013762 -0.604430
C 3.939158 -1.219253 1.629950
C 3.493917 1.149035 -1.299844
C 1.054681 -0.957628 1.610662
C -0.254915 -0.017687 -0.685526
C -1.007357 -0.541562 0.380835
C 5.227460 1.058437 0.387681
C -0.335383 -1.011556 1.521054
C 4.013775 -0.543756 2.998385
C 4.202204 2.125138 -1.995640
C 5.945604 2.019524 -0.326901
C 5.441266 2.559534 -1.512681
C -2.480690 -0.581383 0.264707
C -5.361364 -0.102180 0.115079
C -4.660990 -0.941582 1.204877
C -5.733290 -0.206073 -2.287781
C -4.692435 2.125622 0.914538
C -5.471295 -1.225692 -3.379279
C -6.079573 2.658568 1.235796
H 3.414808 -2.200869 1.709636
H 4.963395 -1.453417 1.255371
H 1.534452 -1.312679 2.520609
H -0.762524 0.359158 -1.577187
H 5.640604 0.676953 1.318911
H -0.916943 -1.418366 2.354304
H 4.531152 -1.181328 3.724033
H 3.015979 -0.324393 3.402181
H 4.549850 0.413650 2.955265
H 3.799337 2.547709 -2.918156
H 6.910519 2.355516 0.053343
H 6.004678 3.312844 -2.057187
H -2.881782 -0.332091 -0.738725
H -6.436042 0.073862 0.314982
H -5.053850 -0.643193 2.205503
H -4.952045 -2.012945 1.059948
H -5.203536 0.749329 -2.451183
H -6.807051 -0.022252 -2.119479
H -4.037914 2.903799 0.473019
H -4.194820 1.680930 1.794474
H -5.812986 -0.864590 -4.354970
H -4.398481 -1.452764 -3.455933
H -5.976230 -2.177379 -3.167411
H -6.021143 3.584741 1.820267
H -6.634765 2.886671 0.316304
H -6.678012 1.946994 1.813754


%chk=000296984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296984

0 1
S 2.183516 0.301838 -2.160562
O -5.132827 -0.742438 -1.302248
O -4.896330 1.268468 -0.135601
N 3.322979 -0.334803 0.698666
N -3.204972 -0.903495 1.216227
C 1.903842 -0.391993 0.577810
C 4.134949 0.521245 -0.109481
C 1.233842 -0.042550 -0.631026
C 3.956857 -1.011727 1.857640
C 3.709783 0.964762 -1.395965
C 1.084651 -0.818323 1.668430
C -0.167657 -0.067324 -0.725690
C -0.970496 -0.494422 0.364771
C 5.416768 0.957050 0.333707
C -0.313552 -0.881942 1.560118
C 4.024501 -0.183520 3.166170
C 4.500994 1.834170 -2.171860
C 6.227980 1.793347 -0.463780
C 5.772940 2.249983 -1.717361
C -2.438824 -0.528557 0.222621
C -5.376674 -0.121690 -0.026645
C -4.670284 -0.955692 1.070528
C -5.914945 -0.151685 -2.414150
C -4.936444 2.065784 1.104712
C -5.621592 -0.982298 -3.661535
C -6.358080 2.340732 1.626964
H 3.403433 -1.950016 2.039021
H 4.975283 -1.310764 1.551620
H 1.543462 -1.102169 2.617571
H -0.646640 0.227218 -1.667418
H 5.796554 0.651420 1.310495
H -0.927327 -1.218683 2.401439
H 4.505815 -0.784302 3.959983
H 3.021656 0.109644 3.518929
H 4.607538 0.743360 3.036825
H 4.126111 2.165771 -3.146344
H 7.212170 2.094868 -0.089078
H 6.389788 2.910542 -2.334539
H -2.842788 -0.218528 -0.758421
H -6.476131 -0.104562 0.180341
H -5.100969 -0.673965 2.051663
H -4.963494 -2.011780 0.900833
H -5.618470 0.905465 -2.543234
H -6.995296 -0.184780 -2.149539
H -4.445846 3.011493 0.817699
H -4.313464 1.580731 1.884188
H -6.182512 -0.584593 -4.527072
H -4.544488 -0.951260 -3.900613
H -5.910979 -2.036322 -3.508613
H -6.311724 3.054288 2.470896
H -6.984934 2.785543 0.833902
H -6.855175 1.424664 1.994200


