%chk=000256992.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256992

0 1
S -3.993479 1.025998 0.387568
O 5.972585 -0.173846 -0.585902
O 5.601938 1.649091 -1.827721
O -5.003579 1.282134 1.390536
O -3.894825 1.830374 -0.805181
N -2.525092 1.185686 1.294204
C 5.236382 -1.080624 0.312141
C 3.832415 -0.456866 0.496432
C 3.796367 0.713893 -0.436880
C 5.235143 -2.444168 -0.349648
C 5.152344 0.847175 -1.053555
C 2.779585 1.527107 -0.747712
C 1.419938 1.448562 -0.204728
C -1.217053 1.310603 0.771108
C 0.324093 1.612080 -1.073085
C 1.178068 1.248167 1.164587
C -0.982302 1.541499 -0.600500
C -0.121941 1.181865 1.656645
C -4.009419 -0.643193 -0.044020
C -4.674135 -1.562583 0.775761
C -3.376111 -1.076389 -1.213659
C -4.696078 -2.916809 0.432067
C -3.396599 -2.430963 -1.558416
C -4.055303 -3.350111 -0.734379
H 5.838594 -1.063773 1.244226
H 3.022813 -1.176895 0.267968
H 3.672847 -0.141953 1.545170
H 4.821715 -3.217141 0.306539
H 6.259340 -2.742842 -0.620384
H 4.659258 -2.445705 -1.284636
H 2.938466 2.330681 -1.484063
H 0.498025 1.798942 -2.134656
H 2.018447 1.156506 1.854290
H -2.600644 1.288035 2.316451
H -1.811332 1.723384 -1.292706
H -0.289339 1.032115 2.720199
H -5.187338 -1.221638 1.682620
H -2.869705 -0.358077 -1.867593
H -5.214462 -3.632576 1.069169
H -2.903164 -2.768563 -2.469288
H -4.072265 -4.407582 -1.003567


%chk=000256992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256992

0 1
S -3.489612 0.389526 1.484309
O 6.288350 0.341175 -1.215869
O 5.139140 -0.702795 -2.954778
O -4.331385 0.309535 2.878582
O -2.729583 1.750505 1.003889
N -2.197192 -1.156117 1.663586
C 5.950936 0.932019 0.125636
C 4.566348 0.331143 0.511732
C 4.027269 -0.220346 -0.790684
C 7.092609 0.622288 1.089901
C 5.137289 -0.246833 -1.794702
C 2.780535 -0.655249 -1.158104
C 1.548211 -0.750971 -0.375274
C -0.954145 -0.977877 1.009884
C 0.334909 -1.051211 -1.072084
C 1.472972 -0.579033 1.041919
C -0.889618 -1.163905 -0.402267
C 0.246523 -0.672196 1.716810
C -4.591652 -0.169689 0.062943
C -5.599897 -1.107626 0.337718
C -4.371015 0.406901 -1.198472
C -6.434805 -1.497510 -0.734719
C -5.218204 0.002273 -2.256435
C -6.240844 -0.947548 -2.024581
H 5.864770 2.021676 -0.045182
H 4.700192 -0.475597 1.260405
H 3.909977 1.097862 0.959907
H 6.886713 1.073847 2.078102
H 8.044615 1.031471 0.712235
H 7.208772 -0.468264 1.217916
H 2.703288 -0.971582 -2.209956
H 0.373380 -1.205256 -2.156880
H 2.377108 -0.377364 1.620373
H -2.112351 -1.156264 2.701244
H -1.804123 -1.426041 -0.944231
H 0.205541 -0.516622 2.802076
H -5.737289 -1.502683 1.348954
H -3.584766 1.156553 -1.335609
H -7.234178 -2.224975 -0.560552
H -5.080934 0.432873 -3.253602
H -6.893658 -1.254490 -2.848733


