%chk=000265225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265225

0 1
S -1.099646 -0.100195 1.697570
S 1.695070 0.079195 2.504342
O 1.589898 0.876885 3.720386
O 1.761108 -1.376826 2.692885
O -3.773053 -5.063184 -2.236722
O -6.252066 3.862112 -0.354386
O 6.422224 0.698980 -2.386250
N 0.433280 0.372299 1.463125
N -1.937628 -5.430229 -0.885419
N -4.233816 3.883406 -1.474766
N 6.466760 2.005208 -0.481712
C -1.348734 -1.616200 0.823071
C -2.013858 1.052379 0.712396
C 3.071443 0.622971 1.609929
C -0.498484 -2.682203 1.144199
C -1.444230 1.698450 -0.386979
C -2.395038 -1.800150 -0.082328
C -3.318127 1.346723 1.121566
C -1.771877 -4.123941 -0.332956
C -3.514236 2.922610 -0.704659
C 3.855301 1.663672 2.120658
C 3.404637 0.034712 0.386823
C -0.704727 -3.935656 0.574105
C -2.190181 2.633217 -1.104109
C -2.618488 -3.049881 -0.660367
C -4.077033 2.275418 0.413240
C 5.308229 1.510191 0.189608
C 4.974535 2.113382 1.424788
C 4.519310 0.470065 -0.330733
C -2.934002 -5.828823 -1.811955
C -5.572377 4.305125 -1.254470
C 6.965133 1.565546 -1.735966
C -2.842269 -7.276623 -2.205176
C -6.043988 5.336849 -2.238986
C 8.216333 2.279414 -2.165587
H 0.349822 -2.545591 1.844467
H -0.410113 1.479392 -0.681817
H -3.056254 -0.974320 -0.357294
H -3.756710 0.856651 1.994651
H 3.586483 2.128095 3.079269
H 2.791228 -0.776553 -0.019380
H -0.036554 -4.753934 0.833223
H -1.741817 3.132373 -1.959328
H -3.444536 -3.188800 -1.366422
H -5.101964 2.503777 0.728610
H 5.575722 2.918839 1.835823
H 4.773696 0.003600 -1.288157
H -1.260116 -6.129736 -0.571728
H -3.718735 4.298874 -2.255061
H 6.975830 2.746651 0.006051
H -2.967587 -7.955762 -1.351205
H -1.892261 -7.521400 -2.698917
H -3.645063 -7.518360 -2.923555
H -6.035901 4.969933 -3.274307
H -5.452495 6.261614 -2.199932
H -7.087446 5.618660 -2.011274
H 8.546592 1.893167 -3.145825
H 8.067480 3.360653 -2.285738
H 9.050994 2.124979 -1.468516


%chk=000265225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265225

0 1
S -1.137873 0.003092 1.726915
S 1.711343 0.278516 2.508093
O 1.589835 1.360345 3.728893
O 1.800021 -1.316466 2.911448
O -3.812670 -5.175492 -2.343139
O -6.688322 3.848411 -0.274704
O 7.180684 -0.034420 -1.956666
N 0.509913 0.515234 1.101691
N -1.892281 -5.405864 -1.010784
N -4.582562 4.004100 -1.302781
N 6.701510 1.835278 -0.616606
C -1.449484 -1.620220 0.810037
C -2.216353 1.204733 0.794977
C 3.230717 0.737268 1.499785
C -0.521344 -2.644444 1.091989
C -1.650543 1.951082 -0.255223
C -2.531770 -1.811691 -0.065362
C -3.556942 1.371573 1.190591
C -1.787205 -4.115910 -0.421467
C -3.827579 3.052764 -0.566400
C 3.786246 2.011263 1.700118
C 3.785029 -0.206066 0.621120
C -0.699779 -3.892755 0.469948
C -2.463372 2.874633 -0.934901
C -2.706188 -3.065727 -0.690086
C -4.374371 2.297522 0.508041
C 5.529406 1.417968 0.073090
C 4.946834 2.347709 0.980024
C 4.946362 0.132047 -0.104112
C -2.854466 -5.879743 -1.910220
C -5.930202 4.358840 -1.148409
C 7.459748 1.134544 -1.561875
C -2.665683 -7.333603 -2.336190
C -6.425141 5.415820 -2.131572
C 8.675984 1.893966 -2.087816
H 0.329359 -2.459932 1.764727
H -0.591452 1.818497 -0.500329
H -3.237270 -1.003407 -0.281654
H -3.973121 0.799131 2.026429
H 3.326858 2.700178 2.416164
H 3.327881 -1.194530 0.515044
H 0.015711 -4.698308 0.678458
H -2.034747 3.464039 -1.755083
H -3.534545 -3.240320 -1.378441
H -5.416417 2.447444 0.794089
H 5.403816 3.335310 1.121771
H 5.405862 -0.573289 -0.797912
H -1.165497 -6.070826 -0.737020
H -4.072419 4.488843 -2.044499
H 7.031790 2.774445 -0.384010
H -3.553374 -7.914266 -2.030771
H -1.765697 -7.814173 -1.914942
H -2.610619 -7.378497 -3.437187
H -5.639955 5.817554 -2.795196
H -6.872682 6.248918 -1.563730
H -7.225718 4.979141 -2.753692
H 8.630183 1.920976 -3.189653
H 8.761964 2.927192 -1.708673
H 9.590286 1.339274 -1.813534


