%chk=000183068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183068

0 1
O 1.479183 0.180365 0.930662
O 1.298943 1.574553 -1.088992
O 0.914141 3.301857 0.417391
O 3.460499 -1.957960 -0.105599
N -3.376293 -0.118683 0.213460
C -2.057474 0.417461 -0.292311
C -0.932662 -0.014646 0.665526
C -2.766979 -0.754469 -1.001207
C -1.679860 -0.444980 1.957936
C -3.139786 -0.747166 1.545283
C 0.229907 0.983668 0.933924
C -0.186011 -1.165869 0.044572
C -2.183639 -2.162045 -1.028691
C -2.013990 1.786190 -0.838210
C -0.712926 -2.192629 -0.726089
C 0.368316 2.096715 -0.143075
C 1.192048 -1.005239 0.252494
C -0.929980 2.560084 -0.751701
C 0.187024 -3.160224 -1.210436
C 2.091006 -1.955846 -0.246168
C 1.557723 -3.050190 -0.962856
C 1.511544 2.374143 -2.273677
C 2.236747 3.191972 0.986067
C 4.034967 -0.712594 0.374795
H -3.339292 -0.521798 -1.915397
H -1.652761 0.362573 2.709837
H -1.196916 -1.321270 2.422191
H -3.347801 -1.834741 1.530876
H -3.866239 -0.280482 2.244228
H 0.216925 1.429002 1.947979
H -2.376516 -2.615384 -2.023981
H -2.727207 -2.806263 -0.301119
H -2.942712 2.139063 -1.296979
H -0.910513 3.588947 -1.116171
H -0.180760 -3.997211 -1.799845
H 2.251584 -3.799040 -1.344913
H 1.718902 3.413704 -2.002675
H 0.640321 2.294203 -2.930014
H 2.387936 1.895316 -2.725407
H 2.840595 2.461147 0.434801
H 2.140604 2.906719 2.037358
H 2.640245 4.204425 0.883561
H 3.701255 -0.523371 1.401077
H 3.744839 0.114069 -0.284003
H 5.108363 -0.919978 0.325701


%chk=000183068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183068

0 1
O 1.434296 0.202206 1.103484
O 1.087347 1.480810 -1.258672
O 1.082795 3.311539 0.314633
O 3.485811 -2.024394 0.221964
N -3.419269 -0.153085 0.256092
C -2.101547 0.479578 -0.241975
C -0.949559 0.023928 0.672083
C -2.774175 -0.642498 -1.045209
C -1.702061 -0.398675 1.983966
C -3.053613 -0.961796 1.484680
C 0.193513 1.046535 0.945429
C -0.177705 -1.125645 0.059757
C -2.140792 -2.033131 -1.224692
C -2.109647 1.901487 -0.649511
C -0.690904 -2.129504 -0.763212
C 0.357558 2.128974 -0.162278
C 1.180960 -1.004133 0.387912
C -0.995591 2.677968 -0.580799
C 0.229843 -3.123115 -1.194674
C 2.108255 -1.980742 -0.036215
C 1.587788 -3.053717 -0.816232
C 1.186005 2.287573 -2.486713
C 2.450049 3.062977 0.803445
C 4.148978 -0.779593 0.648103
H -3.375072 -0.323626 -1.905986
H -1.883913 0.508000 2.592818
H -1.121647 -1.117281 2.587954
H -2.979870 -2.041828 1.252642
H -3.861314 -0.827774 2.222864
H 0.066499 1.576086 1.903998
H -2.191511 -2.285735 -2.300692
H -2.777178 -2.788112 -0.714400
H -3.065923 2.317268 -0.990527
H -1.012643 3.740867 -0.843073
H -0.101850 -3.937985 -1.848489
H 2.303305 -3.808810 -1.157570
H 1.582255 3.297028 -2.267646
H 0.202833 2.375302 -2.986769
H 1.884344 1.736995 -3.135871
H 3.026931 2.470022 0.071193
H 2.441768 2.526701 1.770892
H 2.895779 4.062071 0.930933
H 3.767344 -0.436998 1.625192
H 3.999336 0.019751 -0.100650
H 5.215492 -1.041390 0.722023


