%chk=000201844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201844

0 1
O 5.031229 -1.376573 -0.959343
O -5.030482 -1.381918 0.953653
O 4.372790 1.938619 0.188454
O -4.373051 1.938067 -0.180792
O 3.554210 -2.625954 0.229754
O -3.553074 -2.626053 -0.240449
N 1.358513 -0.036951 0.464452
N -1.358161 -0.035476 -0.464722
N 3.743933 -0.277622 0.570149
N -3.743510 -0.276427 -0.571392
C 0.526136 -1.277061 0.560082
C 0.521444 1.197137 0.570831
C -0.525421 -1.274946 -0.565352
C -0.521453 1.199275 -0.566127
C 2.516297 -0.044499 1.391870
C -2.515943 -0.039623 -1.392164
C 5.412376 0.056438 -1.085521
C -5.412070 0.050458 1.085590
C 4.469779 0.769222 -0.071044
C -4.469679 0.767606 0.074003
C 4.024633 -1.552484 -0.021120
C -4.023825 -1.553743 0.014739
C 5.104227 0.457092 -2.509530
C 6.862367 0.157167 -0.672382
C -5.104062 0.445472 2.511204
C -6.862088 0.152403 0.672840
H 0.020581 -1.377169 1.545392
H 1.198017 -2.160332 0.433766
H 1.183084 2.085474 0.461210
H 0.003514 1.278177 1.551916
H -0.019838 -1.370930 -1.551058
H -1.197044 -2.158915 -0.442601
H -1.183353 2.086971 -0.452928
H -0.003548 1.284419 -1.546878
H 2.658035 0.933314 1.915712
H 2.475949 -0.859211 2.156072
H -2.657971 0.940256 -1.912051
H -2.475353 -0.851229 -2.159650
H 5.683373 -0.147483 -3.223832
H 5.341894 1.514188 -2.692799
H 4.044622 0.302294 -2.760667
H 7.030738 -0.231745 0.342145
H 7.218683 1.196552 -0.697764
H 7.505755 -0.434797 -1.340936
H -4.044411 0.290005 2.761727
H -5.342071 1.501745 2.698726
H -5.683021 -0.162160 3.223060
H -7.505305 -0.442426 1.339010
H -7.218716 1.191571 0.702380
H -7.030329 -0.232494 -0.343238


%chk=000201844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201844

0 1
O 5.335720 -1.138215 -1.131643
O -5.335952 -1.144868 1.126635
O 4.015149 1.938396 0.258739
O -4.014118 1.937502 -0.249735
O 3.970891 -2.743050 -0.095937
O -3.973380 -2.745667 0.081758
N 1.303749 -0.501579 0.556488
N -1.304916 -0.500260 -0.561653
N 3.751388 -0.416340 0.355678
N -3.752416 -0.416930 -0.358581
C 0.499082 -1.742113 0.582096
C 0.497361 0.736673 0.586551
C -0.500071 -1.740584 -0.590700
C -0.498736 0.738170 -0.588459
C 2.563821 -0.497210 1.266066
C -2.565500 -0.494129 -1.270223
C 5.441273 0.374388 -1.089268
C -5.439771 0.368065 1.092444
C 4.334424 0.774872 -0.087067
C -4.333957 0.772551 0.090712
C 4.309241 -1.562183 -0.268570
C -4.310614 -1.565390 0.260528
C 5.143999 0.913360 -2.496157
C 6.838294 0.745329 -0.571343
C -5.139433 0.899087 2.501749
C -6.837176 0.743494 0.578918
H -0.075496 -1.836943 1.534452
H 1.176262 -2.609261 0.487509
H 1.172506 1.606969 0.503350
H -0.079377 0.824429 1.538924
H 0.074503 -1.832674 -1.543317
H -1.177084 -2.608127 -0.498531
H -1.174002 1.608135 -0.502892
H 0.077978 0.828514 -1.540597
H 2.657663 0.377484 1.936378
H 2.699549 -1.424385 1.850780
H -2.660194 0.382795 -1.937473
H -2.701376 -1.419376 -1.857955
H 5.914580 0.561997 -3.202560
H 5.147653 2.016835 -2.475206
H 4.157581 0.571212 -2.852656
H 7.035118 0.283295 0.411005
H 6.912153 1.841563 -0.466089
H 7.606053 0.397973 -1.282757
H -4.152712 0.554018 2.854589
H -5.142042 2.002667 2.486924
H -5.909092 0.544572 3.207588
H -7.604153 0.393479 1.289869
H -6.909737 1.840355 0.479495
H -7.036286 0.286805 -0.405459


