%chk=000235418.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235418

0 1
S 7.926891 0.212811 0.917459
S -7.926915 0.212607 -0.917401
O 5.559483 -2.277618 0.570806
O -5.559436 -2.277855 -0.570828
O 6.865906 1.893653 -0.849751
O -6.865890 1.893332 0.849895
N 4.950135 -0.308056 -0.481007
N -4.950162 -0.308246 0.480938
N 7.996555 2.870460 0.890261
N -7.996543 2.870257 -0.890044
C 0.735282 -0.360650 -0.064754
C -0.735304 -0.360680 0.064704
C 1.391049 0.709531 -0.696348
C -1.391115 0.709472 0.696302
C 1.492473 -1.429366 0.440805
C -1.492454 -1.429423 -0.440860
C 3.528547 -0.364852 -0.311939
C -3.528570 -0.364994 0.311886
C 2.777913 0.715421 -0.823573
C -2.777979 0.715306 0.823529
C 2.881658 -1.438401 0.323200
C -2.881639 -1.438513 -0.323258
C 5.867739 -1.259432 -0.015650
C -5.867727 -1.259657 0.015592
C 7.314483 -0.926369 -0.334680
C -7.314475 -0.926654 0.334648
C 7.511029 1.804805 0.173981
C -7.510934 1.804554 -0.173890
H 0.808662 1.539285 -1.096987
H -0.808761 1.539249 1.096943
H 0.990738 -2.261042 0.937364
H -0.990686 -2.261078 -0.937423
H 3.271617 1.549940 -1.317604
H -3.271716 1.549806 1.317558
H 3.460975 -2.276802 0.725404
H -3.460922 -2.276936 -0.725464
H 5.312497 0.543086 -0.947006
H -5.312565 0.542886 0.946920
H 7.451812 -0.528623 -1.363361
H 7.928718 -1.855615 -0.279951
H -7.451795 -0.528980 1.363356
H -7.928687 -1.855915 0.279867
H 8.528950 2.773895 1.740763
H 7.806968 3.815738 0.582472
H -8.529011 2.773749 -1.740507
H -7.806996 3.815514 -0.582167


%chk=000235418-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235418

0 1
S 8.130405 0.211235 0.905413
S -8.130427 0.210999 -0.905365
O 5.703239 -2.515421 0.131069
O -5.703246 -2.515741 -0.131141
O 6.649853 2.010909 -0.592603
O -6.649917 2.010389 0.593032
N 5.010324 -0.330665 -0.443675
N -5.010444 -0.330955 0.443640
N 8.047655 2.915280 1.034228
N -8.047206 2.915030 -1.034096
C 0.741232 -0.402869 -0.061339
C -0.741347 -0.402912 0.061310
C 1.451448 0.770636 -0.442548
C -1.451636 0.770562 0.442477
C 1.508135 -1.572841 0.196035
C -1.508178 -1.572941 -0.196025
C 3.599723 -0.408260 -0.298669
C -3.599839 -0.408472 0.298636
C 2.851438 0.772426 -0.559753
C -2.851626 0.772269 0.559681
C 2.911442 -1.591697 0.083008
C -2.911484 -1.591879 -0.083001
C 5.952428 -1.323240 -0.224749
C -5.952491 -1.323583 0.224713
C 7.393554 -0.861543 -0.483113
C -7.393643 -0.861956 0.483059
C 7.499107 1.870519 0.334706
C -7.498967 1.870163 -0.334488
H 0.898675 1.685464 -0.683230
H -0.898920 1.685433 0.683127
H 1.000101 -2.487205 0.522452
H -1.000088 -2.487284 -0.522413
H 3.373097 1.687665 -0.866187
H -3.373342 1.687488 0.866080
H 3.481667 -2.498407 0.292743
H -3.481654 -2.498630 -0.292713
H 5.401353 0.595516 -0.692730
H -5.401531 0.595220 0.692628
H 7.485765 -0.273156 -1.411443
H 8.045630 -1.745685 -0.518714
H -7.485927 -0.273700 1.411463
H -8.045699 -1.746121 0.518495
H 8.765002 2.773712 1.743853
H 7.723643 3.860281 0.828591
H -8.764417 2.773594 -1.743884
H -7.723090 3.859975 -0.828363


