%chk=000277829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277829

0 1
O 2.303944 -0.599404 0.172608
O -2.931652 -0.330637 0.784788
O -3.178216 0.046913 -1.439612
N 1.530076 1.593024 -0.135205
N -0.386090 -2.859326 0.140392
C -1.084091 0.582576 -0.312242
C -0.025707 -0.317686 -0.102423
C 1.281634 0.251997 -0.023477
C 0.477179 2.431383 -0.335518
C -0.850600 1.949060 -0.429702
C 3.677560 -0.037240 0.258989
C 0.776904 3.884644 -0.454751
C -2.495272 0.080555 -0.447324
C 4.511979 -1.278744 0.472747
C -0.223614 -1.719331 0.030716
C -4.265086 -0.912310 0.846556
H -1.671446 2.644090 -0.600179
H 3.886756 0.486339 -0.688899
H 3.698739 0.669042 1.105765
H 1.854596 4.100144 -0.351999
H 0.461609 4.279587 -1.433331
H 0.255724 4.467730 0.320131
H 5.576589 -1.030650 0.564195
H 4.210961 -1.817817 1.383292
H 4.400862 -1.990389 -0.358789
H -4.975257 -0.310167 0.270791
H -4.481313 -0.892754 1.920480
H -4.211665 -1.935831 0.460301


%chk=000277829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277829

0 1
O 2.244812 -0.589999 0.344918
O -2.857938 -0.914898 0.317590
O -3.537529 1.254372 -0.172983
N 1.540631 1.586894 -0.221476
N -0.338683 -2.731203 0.866853
C -1.158131 0.736819 -0.041067
C -0.109850 -0.196070 0.212027
C 1.233528 0.309436 0.101201
C 0.523408 2.472388 -0.461173
C -0.829552 2.071751 -0.376812
C 3.653675 -0.099792 0.237156
C 0.911684 3.889010 -0.817309
C -2.625002 0.413998 0.022499
C 4.541551 -1.297118 0.557250
C -0.280915 -1.574818 0.566816
C -4.276422 -1.336584 0.408257
H -1.641269 2.778389 -0.566471
H 3.809950 0.289043 -0.785092
H 3.787311 0.735606 0.947637
H 2.007519 3.989449 -0.820175
H 0.525546 4.167057 -1.815367
H 0.489017 4.610313 -0.093751
H 5.604018 -0.998768 0.494989
H 4.342927 -1.673822 1.574792
H 4.366611 -2.119510 -0.156778
H -4.795591 -0.751506 1.185454
H -4.228771 -2.401562 0.671579
H -4.777429 -1.184077 -0.562264


