%chk=000294734.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294734

0 1
S -1.205625 0.946652 0.377750
O -2.634259 -1.527327 -1.141704
O -2.136486 -2.031821 0.983417
O -6.412800 -0.050330 0.198533
N -4.339364 0.378731 -0.639238
C 1.261296 0.187062 0.860495
C 1.696837 -0.982947 0.199652
C 2.060354 1.353743 0.830294
C 2.930082 -0.976493 -0.529919
C 3.296929 1.355597 0.108320
C 3.719144 0.192625 -0.575757
C -0.046429 0.196473 1.581052
C 0.935643 -2.213273 0.241801
C 1.668595 2.565129 1.518179
C 3.332608 -2.190968 -1.206113
C 4.086921 2.567189 0.099633
C 5.005466 0.214703 -1.341291
C -2.806840 0.918541 1.236733
C -3.664533 -0.151786 0.555174
C 1.355534 -3.335972 -0.402789
C 2.442925 3.685363 1.485515
C 2.581187 -3.324463 -1.150997
C 3.680241 3.687681 0.759338
C -2.730431 -1.318051 0.206139
C -5.740874 0.335253 -0.741786
C -6.292119 0.823459 -2.047716
H -0.395589 -0.825397 1.858728
H -0.015077 0.786136 2.515976
H 0.003458 -2.223510 0.822203
H 0.726526 2.566552 2.067552
H 4.270831 -2.169656 -1.767267
H 5.027117 2.568732 -0.450729
H 5.858453 0.426903 -0.680001
H 5.226043 -0.741003 -1.841930
H 4.987719 0.983877 -2.127348
H -3.272982 1.921728 1.155268
H -2.694590 0.713514 2.316692
H -4.452595 -0.539696 1.276848
H 0.782420 -4.260870 -0.359812
H 2.144003 4.595424 2.003085
H 2.888046 -4.236078 -1.659394
H 4.275599 4.598508 0.751654
H -3.741612 0.601619 -1.433808
H -7.394997 0.817741 -2.015069
H -5.982301 1.851377 -2.280019
H -5.993001 0.183764 -2.889885
H -1.975972 -2.242334 -1.369957


%chk=000294734-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294734

0 1
S -1.409281 1.147718 0.467673
O -3.498433 -2.338023 -0.682633
O -2.337144 -2.183513 1.315990
O -6.534821 0.186131 0.024663
N -4.300012 0.238114 -0.603260
C 1.281574 0.274304 0.768921
C 1.727123 -0.896950 0.077066
C 2.097907 1.450109 0.761951
C 3.031529 -0.905378 -0.595048
C 3.399622 1.433830 0.103691
C 3.864907 0.256352 -0.562080
C -0.028712 0.285276 1.515646
C 0.922627 -2.095758 0.020281
C 1.663301 2.676578 1.387543
C 3.431570 -2.116112 -1.276736
C 4.199316 2.635397 0.140924
C 5.235972 0.287715 -1.220824
C -2.951259 0.641944 1.460323
C -3.841683 -0.331398 0.660589
C 1.353314 -3.236519 -0.646414
C 2.462696 3.814687 1.395461
C 2.625689 -3.247500 -1.306358
C 3.752364 3.792477 0.769541
C -3.133693 -1.681007 0.488881
C -5.650926 0.446604 -0.848951
C -5.993084 1.004062 -2.223613
H -0.409411 -0.717881 1.745717
H 0.038690 0.860139 2.452254
H -0.053796 -2.118068 0.510453
H 0.667454 2.724563 1.836914
H 4.395230 -2.151775 -1.790477
H 5.180071 2.639467 -0.342375
H 6.021572 0.551541 -0.488321
H 5.523360 -0.673729 -1.666440
H 5.275457 1.045949 -2.025996
H -3.515872 1.559875 1.685047
H -2.610014 0.176013 2.398408
H -4.774228 -0.525294 1.238784
H 0.723078 -4.132695 -0.665400
H 2.105184 4.734180 1.871844
H 2.960594 -4.148212 -1.832415
H 4.378483 4.691503 0.781180
H -3.600854 0.426282 -1.324467
H -6.611219 1.909580 -2.102700
H -5.105346 1.251292 -2.830239
H -6.602189 0.262427 -2.769225
H -3.041202 -3.222195 -0.718271


