%chk=000189131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189131

1 1
S 2.538982 -0.956106 0.568863
O 2.134426 -2.741231 1.652265
O 3.546041 3.573375 -0.613981
N 0.641220 -0.208750 -0.990599
N -3.792348 -0.711316 0.438077
N -2.818240 1.429424 0.994694
N -2.855021 -2.144807 -1.176548
C 1.689486 0.755037 -1.175936
C 0.947832 -1.170952 -0.092936
C 2.780207 0.473371 -0.394551
C -0.678385 -0.117576 -1.699116
C 0.126156 -2.310319 0.361043
C 4.056602 1.211984 -0.292159
C -1.791903 0.055549 -0.724292
C 1.532493 1.871599 -2.127280
C 1.019325 -3.388051 0.987754
C 3.886322 2.592949 0.371834
C -2.818089 -0.903569 -0.516301
C -1.869437 1.231731 0.063589
C -3.770911 0.437816 1.172606
C -4.823024 0.653208 2.193696
H -0.794018 -1.028462 -2.333273
H -0.645403 0.751043 -2.410032
H -0.477636 -2.757074 -0.468986
H -0.652150 -1.956890 1.084462
H 4.491678 1.351971 -1.311919
H 4.825029 0.627351 0.261251
H 1.936431 1.625669 -3.123505
H 0.498368 2.220486 -2.259561
H 2.109599 2.765529 -1.775723
H 1.520059 -4.021102 0.224835
H 0.473722 -4.032011 1.698755
H 4.802790 2.897035 0.908133
H 3.026115 2.625716 1.068813
H -1.129378 2.037954 -0.057305
H 1.882630 -2.507477 2.592039
H -3.680649 -2.717659 -0.974977
H -2.638206 -2.139931 -2.166683
H 4.349086 3.919570 -1.058946
H -5.374921 -0.270971 2.438088
H -4.410197 1.067607 3.130834
H -5.569484 1.390481 1.840279


%chk=000189131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189131

1 1
S 2.870059 -0.790456 0.677669
O 2.511176 -3.264336 1.997538
O 2.592860 3.456370 -0.172471
N 0.807881 -0.507705 -0.864039
N -4.039529 -0.063361 -0.036461
N -2.440004 1.138650 1.339214
N -3.423651 -1.270830 -1.927321
C 1.662417 0.572987 -1.245900
C 1.266109 -1.312905 0.133574
C 2.838877 0.574198 -0.521596
C -0.544739 -0.683076 -1.475422
C 0.519758 -2.456844 0.752566
C 3.992519 1.537715 -0.582049
C -1.661851 -0.153413 -0.592080
C 1.248602 1.552370 -2.306523
C 1.429461 -3.667010 1.095200
C 3.793711 2.773848 0.322928
C -3.030389 -0.492041 -0.859952
C -1.446940 0.686118 0.521691
C -3.717621 0.725821 1.028397
C -4.832711 1.199143 1.919308
H -0.685543 -1.760890 -1.686852
H -0.517047 -0.171404 -2.453633
H -0.290384 -2.796177 0.082033
H 0.025056 -2.102754 1.680061
H 4.129205 1.885328 -1.621443
H 4.931404 1.034799 -0.286787
H 1.249682 1.099301 -3.315538
H 0.245307 1.967962 -2.103045
H 1.939786 2.406908 -2.297059
H 1.927731 -4.047996 0.188843
H 0.809059 -4.474074 1.527447
H 4.690484 3.419809 0.240362
H 3.669465 2.464435 1.381388
H -0.435650 1.021130 0.786400
H 2.233568 -3.347590 2.943772
H -4.423534 -1.454336 -2.018066
H -2.805818 -1.539856 -2.687915
H 2.463302 4.315352 0.300677
H -5.764634 0.662250 1.691279
H -4.561963 1.062582 2.979767
H -5.000270 2.282175 1.771340


