%chk=000187409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187409

0 1
S 4.231323 -0.589346 -0.253475
O -1.405946 0.687609 -0.423297
O 0.421432 2.668900 0.096558
N 2.161282 1.125004 -0.073067
N 0.313933 -0.906604 -0.595332
N 1.627128 -1.182476 -0.554533
N 3.117950 2.131586 0.187508
C -2.421340 -0.362736 -0.729512
C -3.664150 0.497322 -0.988638
C -2.673200 -1.230549 0.507476
C -4.765079 -0.044512 -0.062818
C -4.053766 -0.830930 1.055018
C -0.108747 0.338350 -0.389047
C 0.772737 1.540058 -0.094139
C 2.512341 -0.228554 -0.308098
C 4.312406 -2.351917 -0.602168
H -2.057876 -0.927456 -1.607602
H -3.963399 0.476531 -2.048205
H -3.434812 1.560044 -0.754320
H -1.879871 -1.084217 1.262974
H -2.637009 -2.302138 0.240965
H -5.452975 -0.701880 -0.623295
H -5.380625 0.771963 0.349617
H -3.941377 -0.201289 1.956117
H -4.637874 -1.713518 1.361388
H 3.655126 1.910152 1.035110
H 3.772142 2.222376 -0.599832
H 3.887332 -2.595351 -1.588087
H 3.756872 -2.943534 0.141793
H 5.367643 -2.655286 -0.583660


%chk=000187409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187409

0 1
S 4.353909 -0.642993 -0.222039
O -1.401155 0.662204 -0.421223
O 0.497658 2.615885 0.317823
N 2.190682 1.015781 0.031083
N 0.326394 -0.925020 -0.674247
N 1.701801 -1.243031 -0.638304
N 3.206541 1.949333 0.386254
C -2.394673 -0.412130 -0.817935
C -3.707650 0.346398 -1.136226
C -2.702193 -1.314433 0.396780
C -4.702220 0.004736 0.019235
C -3.803578 -0.541529 1.161486
C -0.076803 0.316080 -0.374036
C 0.819075 1.436151 0.019351
C 2.573851 -0.292899 -0.294652
C 4.284631 -2.462549 -0.723192
H -1.947895 -0.961223 -1.663480
H -4.104501 0.056658 -2.124880
H -3.485467 1.426848 -1.172505
H -1.800354 -1.545447 0.986049
H -3.105412 -2.275122 0.018896
H -5.410068 -0.781715 -0.305954
H -5.299453 0.880209 0.327619
H -3.351345 0.296103 1.725061
H -4.355580 -1.175635 1.877169
H 3.047044 2.295409 1.343486
H 3.221795 2.727838 -0.288519
H 3.845899 -2.555826 -1.725602
H 3.677398 -3.023504 -0.000177
H 5.333269 -2.798976 -0.711924


