%chk=000266856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266856

0 1
S 0.682409 -0.872160 0.686366
O 0.461051 -2.278165 0.980652
O 0.290130 0.127959 1.666640
O -2.480568 3.671765 -0.065146
O -0.495405 3.752234 -1.089419
N -0.161765 -0.562960 -0.790636
C -0.409151 0.845228 -1.164009
C -1.190174 -1.549863 -1.208984
C 2.324004 -0.604663 0.246365
C -1.333149 1.622028 -0.207733
C -2.519443 -1.438756 -0.496739
C 2.930050 0.628812 0.519026
C 3.060550 -1.620251 -0.372630
C -2.675630 -1.978622 0.787853
C -3.607958 -0.819450 -1.128149
C 5.000232 -0.165899 -0.466776
C 4.258623 0.850847 0.163843
C 4.392014 -1.404918 -0.730291
C -1.326418 3.075839 -0.525562
C -3.907261 -1.884570 1.440632
C -4.839158 -0.729938 -0.472283
C -4.989986 -1.259341 0.813271
C 6.422302 0.079688 -0.842612
H 0.580233 1.363439 -1.226783
H -0.834320 0.877630 -2.194369
H -0.765397 -2.574941 -1.047179
H -1.329669 -1.453281 -2.311576
H -1.011550 1.481552 0.865889
H -2.368275 1.211207 -0.212661
H 2.361041 1.420391 1.021845
H 2.596661 -2.592553 -0.571414
H -1.831142 -2.476266 1.278916
H -3.499171 -0.408644 -2.129792
H 4.724470 1.811823 0.376265
H 4.958493 -2.200273 -1.211074
H -4.021792 -2.299680 2.441215
H -5.681783 -0.246946 -0.963892
H -5.947990 -1.186018 1.324234
H 6.521531 0.965605 -1.488342
H 7.043318 0.262842 0.048166
H 6.877677 -0.761856 -1.381978
H -2.498336 4.651428 -0.230650


%chk=000266856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266856

0 1
S 0.732410 -1.035577 0.738368
O 0.604006 -2.645174 0.975760
O 0.349561 0.009473 1.941747
O -2.366615 3.716326 0.038300
O -0.231675 3.596174 -0.859007
N -0.218753 -0.707900 -0.841891
C -0.418491 0.733061 -1.112055
C -1.291957 -1.707851 -1.109167
C 2.488194 -0.627306 0.199685
C -1.414165 1.517638 -0.211695
C -2.662031 -1.490963 -0.472339
C 3.033494 0.602690 0.601497
C 3.196966 -1.584741 -0.541391
C -2.857191 -1.733092 0.912144
C -3.762707 -1.063018 -1.256359
C 5.123868 -0.041928 -0.540560
C 4.361687 0.886926 0.217787
C 4.525899 -1.276563 -0.908358
C -1.238596 3.007796 -0.398314
C -4.123892 -1.530615 1.501736
C -5.033358 -0.862228 -0.668950
C -5.214972 -1.091319 0.714340
C 6.554035 0.279369 -0.933643
H 0.567534 1.231303 -1.062501
H -0.736768 0.793488 -2.171410
H -0.875457 -2.681657 -0.790032
H -1.383987 -1.730727 -2.213098
H -1.203841 1.285853 0.851902
H -2.465079 1.245754 -0.395737
H 2.445300 1.298825 1.208082
H 2.735191 -2.540886 -0.806519
H -2.017762 -2.087433 1.522509
H -3.626548 -0.889043 -2.331883
H 4.811332 1.841692 0.513859
H 5.104891 -2.006296 -1.485357
H -4.261423 -1.718730 2.572286
H -5.875785 -0.530442 -1.286315
H -6.197444 -0.934519 1.173520
H 6.611630 1.234469 -1.487407
H 7.197508 0.383525 -0.039958
H 6.988517 -0.508989 -1.570756
H -2.194232 4.692937 -0.058324


