%chk=000270986.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270986

0 1
S 4.211533 0.945997 -1.009127
S 5.441528 -1.615718 2.415790
O 4.668461 2.316469 -0.888846
O 4.686402 0.123110 -2.084912
N 4.860746 0.300658 0.502681
N -1.702216 0.837689 -0.622971
N 3.745675 -1.836951 0.437245
N -2.341143 0.021449 0.092386
N -6.020102 0.713120 -0.594908
N -4.231726 1.796801 -1.588748
N -7.896598 -0.263242 0.385890
C 2.516452 0.866019 -0.847677
C 1.818484 -0.285462 -1.236591
C 1.816946 1.970856 -0.333300
C -0.262467 0.773201 -0.609199
C 0.428922 -0.338805 -1.118167
C 0.433202 1.935107 -0.210854
C 4.609560 -0.967731 0.962777
C -3.741951 0.029818 0.083289
C -4.644828 0.845070 -0.695496
C -4.322196 -0.916407 0.977714
C -5.685304 -1.050242 1.091773
C -6.520146 -0.206352 0.286993
C 4.552374 -3.106540 2.253123
C 3.726184 -3.041216 1.172090
H 2.363720 -1.155032 -1.631097
H 2.365465 2.872490 -0.033185
H 5.545418 0.866747 1.025726
H -0.114486 -1.237104 -1.409119
H -0.114161 2.788926 0.186111
H -3.650000 -1.541051 1.577322
H -6.125789 -1.765922 1.775669
H 4.691359 -3.917226 2.944155
H 3.053564 -3.818730 0.817520
H -4.910124 2.334152 -2.108874
H -3.249794 1.983340 -1.753758
H -8.472166 0.292420 -0.229356
H -8.346697 -0.990707 0.910231


%chk=000270986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270986

0 1
S 4.062033 0.561837 -1.011511
S 6.746781 -1.376618 1.832100
O 4.628106 2.027559 -1.449208
O 4.473360 -0.798102 -1.802139
N 4.655725 0.388383 0.946365
N -1.974970 0.982361 -0.527378
N 4.138413 -1.912282 1.390975
N -2.657114 -0.150255 -0.354214
N -6.201650 1.158726 -0.166343
N -4.215830 2.368302 -0.463694
N -8.201936 0.014512 0.126030
C 2.202737 0.653516 -0.845918
C 1.488768 -0.544496 -0.647034
C 1.602832 1.921644 -0.929450
C -0.564802 0.801409 -0.627453
C 0.090280 -0.463636 -0.540294
C 0.200370 1.984864 -0.823967
C 4.987720 -0.883985 1.338987
C -4.036221 -0.052886 -0.241764
C -4.839898 1.169915 -0.289786
C -4.747135 -1.280740 -0.058590
C -6.132750 -1.297739 0.067149
C -6.830503 -0.037306 0.006964
C 6.098591 -3.011730 2.135773
C 4.746597 -3.084475 1.815812
H 2.016282 -1.499757 -0.569130
H 2.213039 2.816069 -1.087710
H 5.407940 1.096582 1.010229
H -0.516725 -1.358873 -0.384132
H -0.320622 2.945118 -0.890959
H -4.157717 -2.202334 -0.021270
H -6.683452 -2.232245 0.207687
H 6.733797 -3.790702 2.552092
H 4.141885 -3.987579 1.906779
H -4.779903 3.217373 -0.496824
H -3.175346 2.317295 -0.551809
H -8.656263 0.924680 0.078023
H -8.758319 -0.825405 0.257909


