%chk=000266870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266870

0 1
S 1.023180 1.177745 0.443822
O 0.677245 0.639268 1.741021
O 0.552724 2.504788 0.077145
O -6.107048 1.470089 1.905681
O -6.435078 -0.543718 1.191594
N 0.377116 0.143688 -0.790801
N -5.774291 0.480699 1.272695
C -0.760834 0.670252 -1.586703
C 2.716743 1.051991 0.196629
C 0.493467 -1.288939 -0.709637
C -2.070194 0.612332 -0.826810
C 3.374173 1.975126 -0.626156
C 3.447747 0.036082 0.825535
C 0.735555 -2.006802 -1.897738
C 0.410761 -1.966378 0.519317
C -2.476644 1.712952 -0.056813
C -2.872137 -0.537915 -0.893615
C 5.486361 0.858856 -0.201846
C 4.750454 1.881884 -0.826610
C 4.824056 -0.063118 0.628718
C -3.686067 1.675897 0.635178
C -4.083542 -0.587115 -0.205758
C 0.901832 -3.391153 -1.844269
C 0.586505 -3.351041 0.553906
C -4.486543 0.525464 0.549921
C 0.830998 -4.067394 -0.621710
C 6.960677 0.763790 -0.402597
H -0.840490 0.103273 -2.543416
H -0.525079 1.727423 -1.875773
H 2.807411 2.780440 -1.108159
H 2.939849 -0.681541 1.480654
H 0.807266 -1.482701 -2.848344
H 0.194284 -1.423515 1.448418
H -1.829318 2.597757 0.014918
H -2.543074 -1.400995 -1.473872
H 5.255739 2.604610 -1.464942
H 5.386331 -0.854614 1.121499
H -4.014556 2.526625 1.242279
H -4.720114 -1.477228 -0.245887
H 1.091484 -3.947175 -2.762034
H 0.522267 -3.875524 1.507755
H 0.962248 -5.146602 -0.586565
H 7.329976 -0.269664 -0.338539
H 7.281757 1.157709 -1.377228
H 7.495603 1.342491 0.368037


%chk=000266870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266870

0 1
S 1.121857 1.360609 0.362585
O 0.765588 0.775937 1.846622
O 0.712640 2.894128 -0.030316
O -6.055445 0.742534 2.384435
O -6.571925 -0.974304 0.974851
N 0.378171 0.291809 -1.093563
N -5.799839 -0.016727 1.371619
C -0.883897 0.931257 -1.594783
C 2.958668 1.109945 0.070941
C 0.404839 -1.123762 -0.800987
C -2.169894 0.680444 -0.815558
C 3.584997 1.868430 -0.930701
C 3.635067 0.193592 0.890208
C 1.212925 -1.924616 -1.650998
C -0.298198 -1.725573 0.279288
C -2.494978 1.484963 0.309888
C -3.061473 -0.351047 -1.209249
C 5.707712 0.764577 -0.322549
C 4.971819 1.684140 -1.118563
C 5.021740 0.026912 0.678249
C -3.681567 1.262072 1.034249
C -4.253572 -0.589995 -0.499106
C 1.285786 -3.320157 -1.452186
C -0.204145 -3.119476 0.482061
C -4.544380 0.223612 0.617643
C 0.577222 -3.919859 -0.384041
C 7.203860 0.601207 -0.515757
H -0.983438 0.557796 -2.631541
H -0.668793 2.014584 -1.642968
H 3.013971 2.585854 -1.528116
H 3.097882 -0.354645 1.670733
H 1.766117 -1.433669 -2.458151
H -0.885826 -1.107177 0.962579
H -1.813546 2.288558 0.611468
H -2.817077 -0.973329 -2.077568
H 5.489066 2.263690 -1.891738
H 5.575978 -0.684209 1.301213
H -3.949986 1.870925 1.901386
H -4.953070 -1.378839 -0.787174
H 1.899739 -3.934686 -2.119632
H -0.740293 -3.579997 1.318998
H 0.640040 -5.001838 -0.223102
H 7.539706 -0.415946 -0.249944
H 7.503714 0.800659 -1.559064
H 7.761038 1.309717 0.127239


