%chk=000297594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297594

0 1
S -4.914914 -0.745469 -0.796883
O -1.558575 1.382758 -0.945352
O -1.735238 3.265897 1.548783
O -3.181241 0.100224 1.741692
N 0.119360 0.416001 0.410337
N 0.690659 -1.765953 0.893592
N 2.276205 1.150122 -0.618110
N 3.972314 -0.673786 -0.647178
N 3.524705 -2.837892 0.171402
N 4.480235 1.505862 -1.388604
C -1.652398 1.849010 1.408247
C -0.716518 1.607932 0.189987
C -3.033540 1.293846 0.968538
C -2.917995 1.025755 -0.557808
C -3.140746 -0.411686 -0.993173
C 1.439709 0.244486 -0.034522
C -0.283613 -0.863719 0.953846
C 1.782856 -1.117722 0.284333
C 3.096751 -1.554650 -0.054734
C -4.992737 -2.543568 -0.928603
C 3.535829 0.628186 -0.879247
H -1.300986 1.374800 2.349595
H -0.081819 2.488462 -0.094578
H -3.860588 1.994606 1.205431
H -3.533322 1.746119 -1.147648
H -2.528314 -1.117160 -0.397653
H -2.821842 -0.542649 -2.047629
H -1.840531 3.510450 2.493574
H -4.067734 -0.310845 1.582083
H -1.280567 -0.996618 1.369441
H -6.044446 -2.844079 -0.818150
H -4.410079 -3.043096 -0.146649
H -4.642155 -2.895901 -1.905961
H 2.919878 -3.496686 0.637139
H 4.469336 -3.112510 -0.043155
H 4.169844 2.397553 -1.746028
H 5.339817 1.131419 -1.761658


%chk=000297594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297594

0 1
S -5.420949 -0.456750 -0.351440
O -1.532379 0.756503 -1.006918
O -1.610194 3.121518 1.117817
O -2.908813 -0.289137 1.682157
N 0.325787 0.146174 0.402890
N 1.175309 -1.867621 1.108875
N 2.367744 1.108899 -0.629819
N 4.303192 -0.421606 -0.446087
N 4.160290 -2.533540 0.596852
N 4.479966 1.665328 -1.484094
C -1.520499 1.661442 1.247011
C -0.618562 1.204821 0.070870
C -2.897299 1.002026 0.990815
C -2.944940 0.880102 -0.559566
C -3.671124 -0.356819 -1.097421
C 1.676392 0.137090 0.018681
C 0.082172 -1.091684 1.048306
C 2.180210 -1.109643 0.469190
C 3.558850 -1.363385 0.207433
C -5.914476 -2.141376 -1.032626
C 3.682130 0.751195 -0.828316
H -1.116153 1.354539 2.228945
H -0.024137 2.055917 -0.304150
H -3.724583 1.642209 1.357640
H -3.366608 1.812862 -0.983508
H -3.118237 -1.262687 -0.800589
H -3.757558 -0.311463 -2.194023
H -2.074199 3.493535 1.909404
H -3.804877 -0.701532 1.517303
H -0.903482 -1.332772 1.441459
H -6.925212 -2.351965 -0.651363
H -5.213534 -2.916100 -0.684679
H -5.932795 -2.106664 -2.132863
H 3.612329 -3.239892 1.082487
H 5.145785 -2.679041 0.392053
H 4.073473 2.542482 -1.794977
H 5.454580 1.436537 -1.653050


