%chk=000251360.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251360

0 1
S -1.149348 1.767602 0.004672
O -1.408587 2.488230 -1.231514
O -1.404855 2.487288 1.242161
N -0.120479 -1.151204 0.002646
C 0.483152 1.207946 0.001868
C 0.844177 -0.126112 0.001545
C -2.098054 0.314967 0.005465
C -1.526909 -0.958950 0.004065
C 2.244197 -0.518154 -0.000107
C 3.223984 0.508215 -0.001748
C 1.492994 2.213118 0.000004
C -3.493638 0.442260 0.007998
C 2.820914 1.882460 -0.001786
C -2.345717 -2.114307 0.004158
C -4.318145 -0.687361 0.009752
C 2.675527 -1.879546 -0.000066
C -3.726915 -1.967084 0.006548
C 4.610126 0.151599 -0.003348
C 4.011932 -2.198202 -0.001623
C -5.803843 -0.542319 -0.001857
C 4.992669 -1.166769 -0.003288
H 0.214715 -2.120014 0.002402
H 1.187447 3.266013 -0.000019
H -3.945785 1.440683 0.008063
H 3.589145 2.653309 -0.003213
H -1.905842 -3.108116 0.002493
H 1.931356 -2.677249 0.001264
H -4.362628 -2.854429 0.005610
H 5.352238 0.949812 -0.004580
H 4.339505 -3.236423 -0.001585
H -6.311265 -1.381407 0.492206
H -6.184492 -0.491346 -1.033599
H -6.136916 0.372648 0.508892
H 6.047340 -1.443660 -0.004480


%chk=000251360-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251360

0 1
S -1.194156 1.905106 0.009098
O -1.474693 2.720831 -1.376668
O -1.470731 2.715943 1.398536
N -0.121280 -1.122089 0.005182
C 0.567691 1.242573 0.004726
C 0.863436 -0.129746 0.003196
C -2.167593 0.295840 0.006945
C -1.515549 -0.958696 0.007234
C 2.267953 -0.524761 -0.000854
C 3.283297 0.506128 -0.002226
C 1.567483 2.253221 0.003289
C -3.567484 0.424418 0.011387
C 2.908418 1.891333 0.000040
C -2.349326 -2.113538 0.012566
C -4.390598 -0.723517 0.012318
C 2.689087 -1.894364 -0.003774
C -3.747301 -1.992325 0.016700
C 4.663644 0.123550 -0.005990
C 4.044607 -2.237435 -0.007550
C -5.902314 -0.607579 -0.014340
C 5.043598 -1.219235 -0.008571
H 0.203102 -2.088130 0.005532
H 1.262129 3.304187 0.004689
H -4.012569 1.425810 0.012816
H 3.691343 2.655878 -0.001066
H -1.886447 -3.108035 0.017493
H 1.963157 -2.716268 -0.003552
H -4.358510 -2.901907 0.022796
H 5.422977 0.913655 -0.006899
H 4.340431 -3.291467 -0.009862
H -6.382470 -1.465161 0.487694
H -6.279836 -0.579818 -1.054460
H -6.246355 0.314433 0.484101
H 6.102856 -1.495336 -0.011526


