%chk=000214981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214981

0 1
O -0.792348 1.234525 1.178516
O 1.196053 2.074475 0.473985
O 2.016979 -2.061332 -0.212705
N 0.766068 -0.248525 0.431797
N 2.932145 0.040942 -0.561928
C -1.455766 -0.083986 1.269076
C -0.402263 -1.107947 0.779426
C -2.706612 -0.058911 0.432472
C 0.482465 1.121132 0.658754
C 1.959265 -0.848090 -0.122093
C -3.015525 1.039709 -0.377705
C -3.574497 -1.161103 0.485910
C -4.188910 1.034786 -1.138696
C -4.743620 -1.160156 -0.277608
C -5.051996 -0.063349 -1.091076
C 4.263750 -0.481725 -0.957756
C 5.289034 -0.271838 0.123859
C 6.563718 0.008404 -0.133835
H -1.685247 -0.176314 2.354523
H -0.121095 -1.843895 1.562585
H -0.738057 -1.686501 -0.110487
H -2.342024 1.899821 -0.405939
H -3.342509 -2.015829 1.118536
H 2.867812 1.048920 -0.369605
H -4.428093 1.890980 -1.768694
H -5.417528 -2.015036 -0.239140
H -5.964830 -0.066234 -1.685021
H 4.551650 0.025692 -1.909091
H 4.186513 -1.576499 -1.189894
H 4.916848 -0.388228 1.144069
H 7.307426 0.134646 0.641678
H 6.969991 0.131766 -1.127812


%chk=000214981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214981

0 1
O -0.730573 1.044009 0.978026
O 1.448670 1.869601 0.776642
O 2.107812 -2.015985 -0.939999
N 0.849083 -0.325071 0.060249
N 3.170679 -0.013539 -0.311797
C -1.380329 -0.323303 0.833216
C -0.401942 -1.095359 -0.098007
C -2.793543 -0.176452 0.323661
C 0.621550 0.944301 0.615584
C 2.090873 -0.852752 -0.438883
C -3.057836 0.473546 -0.909029
C -3.871614 -0.699687 1.076675
C -4.381657 0.592372 -1.380320
C -5.197598 -0.591458 0.600079
C -5.454991 0.055113 -0.629584
C 4.514001 -0.420291 -0.764212
C 5.528475 -0.373177 0.361997
C 6.689093 0.326123 0.314298
H -1.377564 -0.759508 1.848500
H -0.261180 -2.141904 0.210622
H -0.734324 -1.086130 -1.151121
H -2.232348 0.908015 -1.485200
H -3.675958 -1.190500 2.038171
H 3.022534 0.918598 0.102054
H -4.579716 1.104603 -2.328106
H -6.024924 -1.002782 1.188290
H -6.482608 0.145925 -0.998279
H 4.843740 0.228233 -1.598677
H 4.412241 -1.449462 -1.156109
H 5.275395 -0.965840 1.252985
H 7.403006 0.312175 1.144912
H 6.960352 0.930890 -0.560540


