%chk=000276788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276788

0 1
S 4.947219 -1.382432 -0.485563
O 5.850830 -1.193687 0.632353
O 4.489033 -2.704090 -0.865304
O -6.013905 1.311209 -0.974303
N 0.332309 2.307430 0.112670
N 5.778901 -0.769168 -1.861920
N -2.879904 -1.108998 -0.054077
N -1.445340 0.736104 0.036654
N -1.871369 3.147233 -0.026472
N -3.794120 1.086337 -0.471058
N -4.192369 -3.102186 -0.267622
C 3.594472 -0.335634 -0.306906
C 1.386161 1.350286 -0.005029
C 3.677371 0.780650 0.533113
C 2.402442 -0.606908 -0.990412
C 2.584481 1.629313 0.691188
C 1.296911 0.228105 -0.849778
C -1.061139 2.015049 0.008159
C -2.767682 0.311862 -0.183256
C -4.147532 -1.694330 -0.293656
C -5.224136 -0.906330 -0.591809
C -5.114778 0.545785 -0.709443
H 4.604404 0.984908 1.084082
H 2.331397 -1.489060 -1.638868
H 2.661632 2.486789 1.355489
H 0.371278 0.003657 -1.382986
H 0.570141 3.170394 0.615854
H 5.804558 -1.343572 -2.701535
H 6.694768 -0.348974 -1.720412
H -2.045757 -1.671066 0.119880
H -6.214184 -1.315494 -0.770144
H -1.505616 4.046347 -0.300614
H -2.883080 3.017395 -0.206093
H -3.533770 -3.597838 0.316245
H -5.116825 -3.518787 -0.262827


%chk=000276788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276788

0 1
S 5.379692 -1.142793 -0.309532
O 6.539747 -0.308160 0.475011
O 5.027515 -2.704598 -0.003622
O -6.136816 1.592208 -0.130474
N 0.268283 2.105915 0.156365
N 5.811621 -1.061375 -2.105205
N -3.091178 -1.112108 -0.508825
N -1.488804 0.530562 -0.173648
N -1.970263 2.833332 0.227121
N -3.836189 1.130472 -0.135779
N -4.539461 -2.946093 -0.873753
C 3.791968 -0.162703 -0.185518
C 1.417671 1.291485 0.033249
C 3.877473 1.214188 0.078996
C 2.570513 -0.837761 -0.332626
C 2.678882 1.939296 0.188999
C 1.371668 -0.107715 -0.221351
C -1.094301 1.797594 0.063957
C -2.841831 0.245031 -0.262551
C -4.399345 -1.589499 -0.626940
C -5.453034 -0.693076 -0.501246
C -5.216706 0.727555 -0.250684
H 4.850791 1.694307 0.218679
H 2.557343 -1.918455 -0.506774
H 2.720730 3.015203 0.399861
H 0.395460 -0.581707 -0.322924
H 0.467778 3.090209 0.346439
H 5.836605 -2.031575 -2.462458
H 6.723065 -0.579235 -2.184850
H -2.270772 -1.711937 -0.609785
H -6.488152 -1.031840 -0.581725
H -1.677345 3.793259 0.405697
H -2.994810 2.510369 0.138717
H -3.749234 -3.585244 -0.878771
H -5.471765 -3.334813 -0.978449


