%chk=000231955.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231955

0 1
O 2.541856 3.971406 -0.369367
O -4.524021 1.582183 -1.054503
O 3.071026 -2.509898 -0.550135
N 2.255921 1.301678 0.611467
N -2.704820 -0.053758 0.423689
C 2.663871 -0.135942 0.754861
C -2.243821 -1.343818 1.040232
C 1.953537 1.635565 -0.819831
C 3.346557 2.199415 1.120260
C -2.821032 -0.179455 -1.066683
C -4.029060 0.350481 1.004493
C 1.511839 -1.061616 0.458199
C -0.840717 -1.669365 0.587126
C 0.203381 -0.768406 0.847808
C 1.514200 3.105183 -0.896539
C 2.871845 3.656622 0.998576
C -3.269938 1.173115 -1.639887
C -4.444651 1.692868 0.381114
C 1.752312 -2.286747 -0.201247
C -0.578919 -2.876080 -0.072606
C 0.721857 -3.206149 -0.476210
C 1.003611 -4.495115 -1.176089
H 2.976739 -0.300849 1.813582
H 3.542810 -0.405233 0.121168
H -2.933078 -2.192867 0.836477
H -2.237676 -1.204343 2.147671
H 1.126892 0.975444 -1.162700
H 2.816620 1.460568 -1.496929
H 4.306125 2.070293 0.575011
H 3.534497 1.954374 2.186902
H -3.527301 -0.976789 -1.381270
H -1.819864 -0.447636 -1.470236
H -3.908551 0.469337 2.102167
H -4.827219 -0.403876 0.836604
H -0.010387 0.185075 1.344159
H 1.416874 3.459898 -1.936739
H 0.577296 3.281260 -0.338675
H 1.989994 3.852398 1.634056
H 3.676548 4.378105 1.221325
H -2.518195 1.962332 -1.462357
H -3.518517 1.111400 -2.713274
H -5.474374 1.980103 0.655036
H -3.736340 2.499709 0.640524
H -1.391394 -3.571716 -0.276047
H 1.435774 -4.330600 -2.173176
H 1.692139 -5.127239 -0.597148
H 0.091530 -5.090107 -1.328256
H 3.186324 -3.368208 -1.022402


%chk=000231955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231955

0 1
O 2.140951 4.080849 -0.286002
O -4.254320 2.031937 -0.873706
O 3.190377 -2.742949 -0.430439
N 2.175871 1.268030 0.436638
N -2.664391 -0.059646 0.358300
C 2.657500 -0.132282 0.477174
C -2.282368 -1.423665 0.796412
C 1.799407 1.706811 -0.931700
C 3.136448 2.225897 1.037118
C -2.737906 0.079431 -1.117574
C -3.919162 0.419532 0.987896
C 1.535359 -1.149015 0.296066
C -0.845365 -1.781564 0.432118
C 0.193601 -0.835250 0.598487
C 1.195933 3.118687 -0.878988
C 2.518229 3.633861 1.065711
C -3.006846 1.546038 -1.488165
C -4.175009 1.882762 0.589464
C 1.830075 -2.458675 -0.161892
C -0.518230 -3.072599 -0.042229
C 0.816143 -3.438220 -0.340860
C 1.167795 -4.828808 -0.842356
H 3.132704 -0.294880 1.465956
H 3.453567 -0.329250 -0.280012
H -2.972364 -2.205268 0.385220
H -2.401964 -1.448245 1.899078
H 1.055383 1.000849 -1.344278
H 2.687340 1.709257 -1.613729
H 4.098092 2.263253 0.464395
H 3.367117 1.905877 2.071397
H -3.549232 -0.563083 -1.545897
H -1.777348 -0.246558 -1.557115
H -3.820285 0.349941 2.088424
H -4.800400 -0.199747 0.680612
H -0.039567 0.175648 0.947875
H 0.983807 3.502230 -1.890828
H 0.257775 3.097289 -0.281495
H 1.620572 3.630668 1.721484
H 3.243184 4.380437 1.430621
H -2.153729 2.174837 -1.149474
H -3.149055 1.665799 -2.574926
H -5.145104 2.238505 0.974588
H -3.356810 2.522444 0.985840
H -1.314336 -3.815021 -0.185549
H 1.645723 -4.809206 -1.843684
H 1.851166 -5.363692 -0.151458
H 0.260580 -5.448063 -0.936853
H 3.291189 -3.662183 -0.781466


