%chk=000246845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246845

0 1
O 3.203586 -1.445604 0.115664
O 1.029249 4.549764 -0.088279
O 3.469251 2.953819 -0.377838
O 2.842457 -4.260512 0.080469
N -4.147232 -0.658193 -0.330736
C -4.017227 0.518848 0.594805
C -5.407063 1.179630 0.524920
C -2.828333 1.333295 0.071218
C -5.525213 -1.210915 -0.128854
C -6.381893 -0.000749 0.315819
C -3.028243 -1.618416 -0.125690
C -1.597585 0.463417 -0.013714
C -1.690991 -0.900374 -0.091275
C -0.296720 1.114663 -0.047134
C -0.493247 -1.728129 -0.118403
C 0.887310 0.334592 -0.096606
C 0.789197 -1.120011 -0.064663
C -0.206160 2.532096 -0.072517
C -0.604604 -3.146303 -0.167955
C 1.922056 -1.985035 0.021883
C 2.137196 1.001611 -0.191389
C 1.021445 3.161826 -0.151519
C 0.504454 -3.963494 -0.151368
C 2.212147 2.381380 -0.208010
C 1.782780 -3.373740 -0.051623
C 3.834480 -1.684407 1.408089
C 1.598929 5.192189 -1.262868
C 3.899840 3.758399 0.754616
C 3.877248 -4.122604 -0.933201
H -3.809564 0.213883 1.653219
H -5.469491 1.888091 -0.319498
H -5.637323 1.748717 1.437194
H -2.659703 2.213222 0.721755
H -3.054296 1.725861 -0.945815
H -5.578412 -2.031785 0.611500
H -5.864972 -1.617084 -1.103070
H -6.931674 -0.229523 1.242892
H -7.137406 0.248072 -0.447382
H -3.051193 -2.317258 -0.996846
H -3.136202 -2.230135 0.800092
H -1.106295 3.147378 -0.034473
H -1.590137 -3.608800 -0.230432
H 3.072067 0.430128 -0.268142
H 0.427554 -5.048774 -0.202112
H 4.826517 -1.244585 1.263825
H 3.893155 -2.760753 1.606855
H 3.273792 -1.162021 2.187570
H 0.926374 5.043462 -2.112038
H 2.599787 4.798114 -1.475588
H 1.632859 6.243248 -0.958703
H 4.835143 4.193445 0.387643
H 4.074373 3.106398 1.614439
H 3.156716 4.530400 0.985129
H 4.637779 -4.827135 -0.581449
H 4.258184 -3.094823 -0.963057
H 3.470958 -4.423081 -1.902446


%chk=000246845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246845

0 1
O 3.285836 -1.510145 0.115296
O 1.026550 4.622232 -0.177009
O 3.502467 3.052588 -0.280900
O 2.911519 -4.300560 -0.021915
N -4.157942 -0.674774 -0.246851
C -4.073396 0.519684 0.625816
C -5.456255 1.193187 0.437993
C -2.848250 1.342710 0.214140
C -5.513465 -1.232122 -0.051735
C -6.418793 0.029425 0.015397
C -3.046960 -1.610261 -0.040620
C -1.597601 0.476895 0.084540
C -1.690181 -0.908049 -0.000715
C -0.291718 1.119062 0.023325
C -0.488333 -1.734397 -0.027364
C 0.924406 0.337464 -0.040006
C 0.829199 -1.128288 -0.016987
C -0.200745 2.544032 -0.028638
C -0.609585 -3.159530 -0.031908
C 1.962822 -2.015934 0.026982
C 2.165088 1.042173 -0.139145
C 1.023736 3.207391 -0.137720
C 0.510715 -3.992821 -0.053665
C 2.229480 2.438182 -0.165924
C 1.803249 -3.420392 -0.041748
C 3.958736 -1.799425 1.405002
C 1.578723 5.199821 -1.425597
C 3.878915 3.888198 0.882267
C 3.819279 -4.192314 -1.188200
H -3.955004 0.209652 1.699574
H -5.398321 1.955318 -0.359535
H -5.787811 1.697206 1.362409
H -2.677229 2.142967 0.959977
H -3.061389 1.840383 -0.753965
H -5.583876 -1.809921 0.907321
H -5.783645 -1.915443 -0.877144
H -7.246267 -0.110632 0.732585
H -6.862765 0.239907 -0.972203
H -3.056818 -2.347683 -0.866763
H -3.178150 -2.196327 0.912072
H -1.100583 3.163551 -0.019973
H -1.600012 -3.619895 -0.018273
H 3.098487 0.483791 -0.198926
H 0.422869 -5.083154 -0.075738
H 4.962878 -1.356630 1.317065
H 4.028467 -2.889650 1.565761
H 3.406152 -1.323947 2.236816
H 0.932299 4.932307 -2.283079
H 2.607704 4.840293 -1.605425
H 1.568592 6.290054 -1.274161
H 4.853772 4.330054 0.624617
H 3.978966 3.257622 1.786587
H 3.129353 4.680752 1.060444
H 4.615733 -4.930229 -1.006561
H 4.240852 -3.174815 -1.266141
H 3.273957 -4.447860 -2.116545


