%chk=000233762.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233762

0 1
S 0.445990 1.056004 -2.034158
O -1.241475 1.061219 -2.271246
O 0.798494 2.476582 -1.861921
N -3.738499 0.062139 0.978763
C 0.508167 0.263982 -0.360450
C -2.527309 1.799671 -0.333179
C 0.176885 -1.173988 -0.623534
C 1.832347 0.524856 0.291689
C -3.535963 0.641964 -0.390797
C -2.004375 2.145541 -1.728276
C -0.899278 -1.773101 0.051247
C 2.248148 1.852797 0.498795
C 0.921696 -1.930591 -1.544965
C 2.648109 -0.521969 0.750056
C -4.471427 1.008698 1.872126
C -4.491671 -1.226036 0.878159
C -1.226351 -3.108165 -0.196846
C 3.463058 2.122184 1.130898
C 0.583410 -3.263361 -1.793746
C 3.862622 -0.246531 1.385057
C -0.490214 -3.855436 -1.121860
C 4.275859 1.074335 1.575877
H -0.294236 0.727566 0.288230
H -2.983932 2.696972 0.125252
H -1.679934 1.518448 0.335835
H -3.113853 -0.159827 -1.044265
H -4.479225 0.979305 -0.868133
H -1.397562 3.074911 -1.719875
H -2.820841 2.257914 -2.468889
H -1.485570 -1.195197 0.772947
H 1.632389 2.687020 0.145680
H 1.776095 -1.491555 -2.057997
H 2.337731 -1.559283 0.625833
H -4.592230 0.547062 2.865114
H -5.464182 1.312274 1.509807
H -3.862261 1.915455 2.012969
H -3.928933 -1.926384 0.239822
H -5.510749 -1.136265 0.474801
H -4.556488 -1.679523 1.880071
H -2.056621 -3.568746 0.336329
H 3.777177 3.154822 1.276451
H 1.161361 -3.842484 -2.512314
H 4.486084 -1.067796 1.734408
H -0.750025 -4.893738 -1.316077
H 5.221584 1.287058 2.068710


%chk=000233762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233762

0 1
S 0.530467 1.111324 -2.070905
O -1.365556 0.947322 -2.275937
O 0.795037 2.683722 -1.693271
N -3.919060 0.120637 0.926459
C 0.665908 0.103907 -0.224174
C -2.734813 1.901277 -0.418633
C 0.271792 -1.310822 -0.525173
C 2.010195 0.435396 0.357446
C -3.691498 0.691400 -0.426353
C -2.089366 2.140116 -1.795215
C -0.891305 -1.851009 0.087138
C 2.224583 1.756012 0.850477
C 1.007338 -2.122876 -1.433363
C 3.070303 -0.507614 0.460479
C -4.542219 1.078476 1.865363
C -4.690635 -1.139774 0.852723
C -1.282140 -3.183433 -0.169976
C 3.464331 2.123308 1.412094
C 0.605442 -3.448901 -1.700102
C 4.306977 -0.138683 1.032314
C -0.534854 -3.988504 -1.060468
C 4.512567 1.178184 1.504649
H -0.138727 0.647136 0.295504
H -3.260198 2.830624 -0.120371
H -1.945551 1.723136 0.336507
H -3.235159 -0.101203 -1.048067
H -4.657785 0.983871 -0.917493
H -1.393491 3.007517 -1.757533
H -2.848387 2.335646 -2.577327
H -1.492760 -1.225850 0.760617
H 1.420029 2.494388 0.775385
H 1.882708 -1.711174 -1.949812
H 2.918131 -1.538875 0.129385
H -4.652246 0.603522 2.856677
H -5.554598 1.422965 1.530879
H -3.900653 1.967374 1.985801
H -4.170400 -1.853486 0.189190
H -5.728882 -0.999101 0.457467
H -4.767782 -1.590277 1.858897
H -2.171948 -3.591741 0.322511
H 3.612157 3.144745 1.779538
H 1.177610 -4.059343 -2.407634
H 5.108121 -0.881718 1.115794
H -0.843391 -5.020120 -1.263252
H 5.473709 1.461304 1.948165


