%chk=000217076.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217076

0 1
S -2.269601 0.895586 2.158379
S 0.558808 0.339425 0.036269
S -3.859008 -2.140590 1.660531
P -2.860351 -0.682947 0.947417
O -3.566151 0.206557 -0.255059
O -1.364136 -1.028258 0.298284
O 3.210250 0.384885 -0.115614
O 6.295697 -0.490007 0.642455
N 0.836382 2.665344 1.165237
N 2.097672 2.271591 0.903876
C -1.556031 2.058173 0.926770
C -4.593667 -0.428949 -1.079180
C -1.200255 -2.298764 -0.401877
C -0.115718 1.823093 0.793258
C 4.538696 0.977059 0.195592
C 5.497120 -0.004951 -0.463102
C -4.971170 0.667603 -2.056069
C -1.686085 -2.186925 -1.833700
C 2.151547 1.072120 0.297291
C 7.149821 -1.594331 0.294811
H -1.760361 3.082209 1.331984
H -2.088568 2.015842 -0.052759
H -5.445012 -0.729677 -0.437977
H -4.153696 -1.313384 -1.590711
H -0.099463 -2.432871 -0.344373
H -1.683949 -3.123350 0.156744
H 4.651808 1.004747 1.298126
H 4.567176 1.996236 -0.222157
H 4.951538 -0.843164 -0.940817
H 6.163654 0.477659 -1.198596
H -5.324475 1.564003 -1.525758
H -4.110526 0.981342 -2.661576
H -5.767944 0.342257 -2.735054
H -2.785560 -2.172893 -1.915237
H -1.317475 -1.265588 -2.308003
H -1.330148 -3.031673 -2.437201
H 7.662227 -1.801257 1.243957
H 7.868488 -1.301755 -0.475671
H 6.556666 -2.458397 -0.018388


%chk=000217076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217076

0 1
S -2.056765 0.689361 1.782417
S 1.136652 -0.002674 -0.212862
S -4.042976 -2.441037 1.607441
P -2.991645 -1.001217 0.570443
O -3.840779 -0.155284 -0.703667
O -1.614403 -1.465759 -0.370307
O 3.847534 0.435783 -0.091619
O 6.452739 -0.440247 1.107106
N 1.043392 2.540183 0.638571
N 2.415007 2.250291 0.532125
C -1.236782 1.644128 0.318995
C -5.190846 0.399163 -0.384775
C -1.561349 -2.840657 -0.958218
C 0.245862 1.527729 0.298251
C 5.023502 1.301673 0.253664
C 6.272632 0.484416 -0.009138
C -5.715792 1.012804 -1.679352
C -2.423930 -2.958678 -2.215544
C 2.628958 0.999391 0.108533
C 7.584686 -1.342099 0.903982
H -1.507805 2.698835 0.482033
H -1.720086 1.272096 -0.598002
H -5.087624 1.156167 0.417258
H -5.837573 -0.422752 -0.022904
H -0.488064 -2.963230 -1.177442
H -1.862618 -3.569504 -0.181420
H 4.946812 1.593085 1.315123
H 4.977087 2.206640 -0.378227
H 6.175207 -0.062621 -0.972486
H 7.143761 1.175175 -0.085486
H -5.050856 1.819366 -2.032115
H -5.791011 0.248694 -2.471320
H -6.721327 1.439341 -1.507485
H -3.495673 -2.841944 -1.978682
H -2.143671 -2.190759 -2.955991
H -2.276838 -3.956336 -2.670623
H 7.625705 -1.986867 1.795241
H 8.541550 -0.784461 0.808711
H 7.445528 -1.972192 -0.000126


