%chk=000211732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211732

0 1
S 4.207351 0.407314 1.327336
S 2.855054 2.915159 0.452042
O -2.529068 -1.911042 -0.378566
O -3.779007 0.368548 0.977595
O 2.270286 -1.770633 -1.197689
N 2.418177 0.443724 -0.541486
C 1.332485 0.876577 -1.472709
C -0.020176 0.722264 -0.823759
C 2.774414 -0.955715 -0.467775
C -0.651816 -0.529987 -0.839577
C 3.821933 -1.198831 0.582229
C -0.639242 1.819167 -0.208340
C 3.049822 1.317129 0.325924
C -1.915701 -0.669061 -0.260557
C -2.555653 0.446840 0.327639
C -1.907769 1.687402 0.361442
C -2.770255 -2.568554 0.896783
C -4.882531 -0.051857 0.127457
H 1.401401 0.247676 -2.395462
H 1.516945 1.931361 -1.789775
H -0.169148 -1.400599 -1.292869
H 3.457579 -1.915284 1.349875
H 4.731144 -1.660497 0.140576
H -0.132352 2.785477 -0.172964
H -2.403453 2.534306 0.835295
H -3.345556 -1.918265 1.565372
H -1.812640 -2.850498 1.342411
H -3.344545 -3.451362 0.596406
H -4.645254 -0.989711 -0.388081
H -5.106430 0.746644 -0.585122
H -5.694594 -0.180691 0.850747


%chk=000211732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211732

0 1
S 4.471894 0.566437 1.236957
S 2.957023 3.057855 0.239515
O -2.648890 -1.943353 -0.397362
O -3.874136 0.333405 0.984741
O 2.322048 -1.837627 -1.096419
N 2.482477 0.444535 -0.530575
C 1.350359 0.821333 -1.437038
C -0.018021 0.676451 -0.783025
C 2.860728 -0.917093 -0.434538
C -0.719029 -0.552223 -0.863844
C 3.998741 -1.129067 0.559894
C -0.610818 1.766682 -0.095730
C 3.188529 1.391331 0.223389
C -1.991155 -0.696198 -0.274137
C -2.600131 0.415575 0.379593
C -1.892383 1.633178 0.478824
C -2.886398 -2.640812 0.888511
C -4.990171 0.023501 0.058614
H 1.436161 0.156561 -2.313444
H 1.538579 1.864851 -1.739990
H -0.275538 -1.418443 -1.365959
H 3.662718 -1.781570 1.380982
H 4.861789 -1.587996 0.053353
H -0.070524 2.716194 -0.018644
H -2.374368 2.468219 0.997060
H -3.485104 -2.014774 1.574909
H -1.920679 -2.899396 1.362524
H -3.432669 -3.559533 0.626412
H -4.807761 -0.922719 -0.481268
H -5.118907 0.849831 -0.665728
H -5.882964 -0.058132 0.696823


