%chk=000295829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295829

0 1
S -2.675937 -0.944814 0.797741
O -2.933638 -1.334177 -0.572823
O -3.072615 -1.773990 1.906663
O 2.258247 -2.643340 0.243958
O 0.871013 1.714204 -0.460595
O -5.953403 1.532132 -1.448467
O -6.300788 0.686200 0.601660
N 1.239076 -0.577894 -0.168198
N -3.448317 0.586579 1.048752
C -0.166423 -1.038712 -0.243755
C -0.972161 -0.539257 0.957587
C 3.559510 -0.555882 0.072655
C 3.132176 0.783507 -0.153712
C 2.359127 -1.457556 0.081735
C 1.637277 0.801206 -0.294156
C 4.892272 -0.862167 0.239197
C 4.036584 1.820849 -0.214980
C -4.015457 1.263762 -0.128088
C 5.824204 0.202462 0.177894
C 5.407422 1.509293 -0.043635
C -5.520247 1.094772 -0.222190
H -0.164402 -2.156781 -0.290285
H -0.613009 -0.665830 -1.200090
H -0.823078 0.563519 1.067631
H -0.548622 -0.949943 1.901139
H -4.066635 0.670406 1.874805
H 5.224506 -1.887080 0.412139
H 3.714379 2.848451 -0.389644
H -3.541795 0.908140 -1.083048
H -3.783745 2.359275 -0.064114
H 6.885479 -0.018220 0.307550
H 6.140916 2.316551 -0.088551
H -6.938116 1.437736 -1.566974


%chk=000295829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295829

0 1
S -2.670643 -0.780454 0.059928
O -2.965529 -0.578932 -1.537099
O -2.881031 -2.216793 0.792170
O 2.219224 -2.430324 1.053316
O 1.361725 1.447344 -1.479371
O -6.806663 1.757123 -0.507936
O -6.422638 0.188809 1.169984
N 1.466029 -0.592993 -0.262385
N -3.631336 0.574515 1.000580
C 0.084273 -1.034684 -0.477052
C -0.872917 -0.192212 0.384534
C 3.697249 -0.528403 0.404576
C 3.441511 0.635513 -0.362722
C 2.439180 -1.336231 0.482754
C 2.009476 0.614956 -0.797868
C 4.964120 -0.780876 0.951463
C 4.444493 1.584903 -0.608626
C -4.520240 1.339043 0.100300
C 5.985713 0.174220 0.708511
C 5.729949 1.338524 -0.059569
C -5.989980 1.006587 0.329235
H 0.029604 -2.101183 -0.195595
H -0.174738 -0.919494 -1.544212
H -0.888076 0.869653 0.099617
H -0.737337 -0.330358 1.467779
H -4.184944 0.038656 1.705846
H 5.150344 -1.683587 1.541475
H 4.236405 2.479551 -1.203608
H -4.263343 1.124784 -0.960730
H -4.369444 2.422672 0.257908
H 6.987797 0.011383 1.119057
H 6.538562 2.056934 -0.230650
H -7.762995 1.534757 -0.343809


