%chk=000295368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295368

0 1
O 4.753828 0.098917 0.901755
O 4.376566 -1.588465 -0.555030
O -2.578775 -0.734946 -0.625450
N -1.527130 0.818939 0.750554
N -3.880705 0.830467 0.499680
C 6.760871 0.528601 -0.404329
C 8.293853 0.510021 -0.391309
C 6.191978 -0.152450 0.836167
C 8.871391 1.181148 -1.634918
C 2.518541 -0.294720 0.300456
C -0.175750 0.403644 0.565027
C 3.927896 -0.697093 0.131497
C 2.151309 0.780512 1.126231
C 1.528888 -1.016660 -0.391037
C 0.813429 1.135302 1.264060
C 0.186697 -0.674145 -0.263634
C -5.176639 0.428267 0.029957
C -2.661966 0.210482 0.131932
C -6.278801 1.167192 0.510075
C -5.365911 -0.640246 -0.860668
C -7.563677 0.823416 0.088643
C -6.661561 -0.964554 -1.267415
C -7.761515 -0.239651 -0.798553
H 6.385631 1.568947 -0.466823
H 6.377809 0.019782 -1.314098
H 8.656917 -0.535689 -0.330698
H 8.672222 1.019133 0.516979
H 6.366583 -1.242811 0.841768
H 6.530372 0.304739 1.782664
H 9.967052 1.162313 -1.622590
H 8.561219 2.229622 -1.710819
H 8.545750 0.677202 -2.552958
H 2.927827 1.337144 1.660724
H 1.825052 -1.853779 -1.033017
H 0.543409 1.969312 1.906333
H -0.577505 -1.243214 -0.806968
H -1.663652 1.613654 1.378227
H -3.873876 1.622225 1.143842
H -6.142221 1.995436 1.199457
H -4.513523 -1.216552 -1.235696
H -8.418893 1.390587 0.456150
H -6.811605 -1.794287 -1.959329
H -8.766286 -0.501041 -1.122041


%chk=000295368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295368

0 1
O 4.796473 0.191616 0.920193
O 4.425524 -1.611066 -0.520896
O -2.668655 -0.948837 -0.715200
N -1.593859 0.682882 0.611101
N -3.915252 0.724306 0.386830
C 6.892286 0.666992 -0.349505
C 8.427746 0.481268 -0.388294
C 6.262692 -0.070832 0.840038
C 9.079675 1.226187 -1.573117
C 2.537745 -0.299033 0.294364
C -0.234028 0.308765 0.469969
C 3.973636 -0.659137 0.166374
C 2.096053 0.798460 1.079311
C 1.576139 -1.081143 -0.396213
C 0.727884 1.097658 1.165572
C 0.202692 -0.792923 -0.318298
C -5.246301 0.388751 0.002032
C -2.725945 0.068388 0.031867
C -6.287465 1.222227 0.495625
C -5.566647 -0.715949 -0.831564
C -7.630880 0.957164 0.163081
C -6.918001 -0.966577 -1.154137
C -7.956685 -0.141641 -0.665806
H 6.647850 1.745141 -0.281277
H 6.447769 0.285890 -1.288198
H 8.666187 -0.599478 -0.456014
H 8.869258 0.842004 0.563387
H 6.423428 -1.161103 0.758317
H 6.651116 0.301902 1.802923
H 10.175409 1.081521 -1.585245
H 8.881846 2.313042 -1.516202
H 8.679132 0.861784 -2.537367
H 2.832590 1.404296 1.613395
H 1.928234 -1.924992 -0.998791
H 0.397002 1.948906 1.775308
H -0.533871 -1.396780 -0.849299
H -1.748569 1.497584 1.209371
H -3.846729 1.545422 0.992048
H -6.045662 2.078147 1.140420
H -4.766335 -1.353080 -1.210374
H -8.421167 1.608835 0.551751
H -7.157138 -1.820769 -1.797533
H -9.000078 -0.349098 -0.925149


