%chk=000179733.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179733

0 1
O -2.948027 -2.170805 0.992833
O 0.898197 0.401255 2.114649
N 0.455940 1.892215 0.455596
C -2.083548 -0.526698 -0.600111
C -0.675940 -0.467825 -1.166751
C 0.139975 -1.370215 -0.579244
C -2.593830 0.749924 0.083534
C -0.565197 -2.150174 0.503442
C 1.571156 -1.647727 -0.887190
C -0.328902 0.441251 -2.297947
C -2.012133 -1.693602 0.406817
C 2.526026 -1.132508 0.213826
C -1.829492 1.173968 1.341431
C -0.397177 1.932429 -1.945479
C -0.801232 2.300906 1.146650
C 0.658074 2.389967 -0.927134
C 2.485029 0.406271 0.323295
C 1.215346 0.856963 1.021180
C 3.956686 -1.599738 -0.074290
H -2.799432 -0.799670 -1.413996
H -3.659418 0.585869 0.352626
H -2.589088 1.576743 -0.662160
H 1.715468 -2.742090 -1.011157
H 1.851127 -1.203714 -1.865215
H -0.465671 -3.242965 0.396529
H -0.148010 -1.901487 1.506912
H 0.685940 0.197224 -2.681490
H -1.020350 0.240715 -3.145694
H 2.200317 -1.557740 1.199905
H -2.557551 1.508371 2.109088
H -1.316113 0.303710 1.809832
H -0.274178 2.528522 -2.871568
H -1.417930 2.172388 -1.565658
H -1.253926 3.155410 0.603098
H -0.502634 2.675254 2.157697
H 1.673789 2.084256 -1.279948
H 0.664541 3.504883 -0.884575
H 2.616377 0.867380 -0.675976
H 3.341857 0.760545 0.935835
H 4.644239 -1.291578 0.722386
H 4.014027 -2.692559 -0.138143
H 4.342270 -1.195725 -1.015938


%chk=000179733-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179733

0 1
O -3.035792 -2.234760 0.943630
O 1.000333 0.509217 2.181705
N 0.438911 1.857979 0.386561
C -2.100814 -0.528628 -0.604013
C -0.684087 -0.469938 -1.173787
C 0.135409 -1.406022 -0.596755
C -2.682922 0.707803 0.166075
C -0.595357 -2.226364 0.456272
C 1.597811 -1.670666 -0.875399
C -0.335718 0.455336 -2.324073
C -2.045661 -1.745402 0.350074
C 2.570931 -1.137796 0.226569
C -1.872762 1.226899 1.382863
C -0.368775 1.981206 -2.023384
C -0.767803 2.290873 1.144651
C 0.642144 2.453619 -0.951514
C 2.544440 0.416546 0.321855
C 1.272423 0.935632 1.007093
C 4.008041 -1.631401 -0.052689
H -2.835199 -0.750115 -1.410704
H -3.673389 0.373523 0.533868
H -2.883641 1.531220 -0.546634
H 1.757542 -2.765660 -0.958892
H 1.906623 -1.234726 -1.846369
H -0.526402 -3.321023 0.297412
H -0.221453 -2.035308 1.483869
H 0.663850 0.199892 -2.725726
H -1.055548 0.270778 -3.150228
H 2.246143 -1.525700 1.211771
H -2.590992 1.707551 2.078357
H -1.426360 0.389372 1.946029
H -0.140871 2.529009 -2.960197
H -1.388135 2.287148 -1.727734
H -1.193239 3.162461 0.612029
H -0.428066 2.630505 2.141856
H 1.666093 2.237984 -1.294060
H 0.567421 3.556564 -0.856135
H 2.730097 0.838818 -0.681020
H 3.384848 0.732943 0.969902
H 4.703410 -1.301919 0.741169
H 4.046219 -2.735581 -0.098574
H 4.386901 -1.242271 -1.018225


