%chk=000231298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231298

0 1
O 0.705896 2.174526 -1.796741
N -1.466209 2.325626 -1.263762
C -0.038367 0.816936 0.131479
C 0.159824 1.722890 1.381100
C 1.158041 -0.130454 0.039304
C -1.301951 -0.042080 0.198453
C -0.192807 1.788082 -1.066724
C 1.438484 2.550644 1.316130
C 2.201949 0.027162 -0.878416
C -1.539213 -0.950671 -0.850425
C 1.215184 -1.197459 0.957722
C -2.227222 0.046736 1.245072
C 3.275797 -0.870213 -0.890747
C -2.681184 -1.750947 -0.848254
C 2.287872 -2.088892 0.944475
C -3.372257 -0.759292 1.244643
C 3.323662 -1.929672 0.016760
C -3.603703 -1.656659 0.200852
H 0.183928 1.083003 2.286813
H -0.712786 2.396117 1.495080
H 1.492687 3.158648 0.401714
H 2.333356 1.913248 1.318293
H 1.514192 3.230599 2.171041
H 2.197385 0.858606 -1.594415
H -0.817453 -1.036368 -1.664845
H 0.414237 -1.336343 1.683189
H -2.071345 0.733935 2.074855
H 4.078138 -0.734536 -1.614504
H -2.853490 -2.453346 -1.663062
H 2.318478 -2.910549 1.657546
H -4.083091 -0.684611 2.066548
H -2.288004 2.005212 -0.782685
H -1.616666 2.952189 -2.040556
H 4.159035 -2.625781 0.005239
H -4.493799 -2.282887 0.202728


%chk=000231298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231298

0 1
O 0.783710 2.653475 -1.366447
N -1.421474 2.035927 -1.593058
C -0.049938 0.860019 0.153874
C 0.143970 1.714308 1.472778
C 1.176099 -0.078030 -0.015809
C -1.334850 -0.007228 0.237954
C -0.176164 1.902820 -1.009456
C 1.500496 2.432452 1.614375
C 2.140130 0.041101 -1.047191
C -1.520667 -1.062984 -0.699235
C 1.341825 -1.116987 0.941237
C -2.369385 0.231474 1.180386
C 3.229718 -0.859399 -1.122424
C -2.689302 -1.852221 -0.691631
C 2.432082 -2.008187 0.873034
C -3.541535 -0.562071 1.194089
C 3.385171 -1.885275 -0.165378
C -3.709126 -1.606211 0.258613
H 0.007237 1.026798 2.330648
H -0.670775 2.463328 1.528366
H 1.688778 3.101283 0.759200
H 2.332452 1.708971 1.667713
H 1.507503 3.031745 2.543911
H 2.059441 0.849630 -1.777949
H -0.730418 -1.273020 -1.428838
H 0.599149 -1.240067 1.739067
H -2.271120 1.034773 1.916432
H 3.962043 -0.748821 -1.930541
H -2.803189 -2.660970 -1.422282
H 2.534939 -2.799611 1.624337
H -4.321746 -0.360755 1.937045
H -2.200193 1.424282 -1.353301
H -1.533238 2.751719 -2.311202
H 4.232657 -2.577476 -0.225122
H -4.615683 -2.221393 0.270702


