%chk=000218188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218188

0 1
O 0.307781 -0.381272 -3.191872
O -3.772118 0.219205 1.872440
N 2.729587 0.552903 -0.751971
N -0.055892 0.377662 -1.037777
C 4.826036 -0.049217 1.205580
C 3.673118 -1.019964 0.923189
C 4.389653 1.387547 0.894623
C 3.160989 -0.866921 -0.517686
C 3.867691 1.510387 -0.546654
C 2.156747 0.704211 -2.123722
C 0.725562 0.158009 -2.184587
C -1.420527 0.001210 -0.858162
C -1.990376 0.259459 0.400835
C -2.184292 -0.591044 -1.883708
C -3.337174 -0.086142 0.601168
C -3.516271 -0.918526 -1.642046
C -4.117998 -0.674488 -0.402566
C -5.146692 -0.086446 2.209816
H 5.142655 -0.130817 2.262068
H 5.710666 -0.320005 0.598625
H 3.994350 -2.064146 1.092654
H 2.842882 -0.830863 1.633105
H 3.594455 1.696340 1.602747
H 5.230385 2.089310 1.044589
H 3.940259 -1.201590 -1.235788
H 2.275860 -1.523080 -0.671869
H 3.484053 2.540078 -0.715519
H 4.699040 1.347464 -1.265767
H 2.115871 1.782502 -2.404348
H 2.746988 0.202030 -2.924986
H 0.418739 0.781814 -0.214670
H -1.432004 0.712514 1.214011
H -1.733144 -0.792581 -2.859570
H -4.105490 -1.376827 -2.438493
H -5.154694 -0.937787 -0.239892
H -5.324086 -1.163459 2.140250
H -5.829406 0.481768 1.571569
H -5.203905 0.255967 3.251083


%chk=000218188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218188

0 1
O 0.294111 -0.192489 -3.604765
O -3.402632 0.058051 2.017421
N 2.700767 0.474617 -0.892038
N 0.079095 0.192893 -1.275301
C 4.474127 0.075003 1.425719
C 3.431380 -0.985782 1.004299
C 4.017355 1.481513 0.973719
C 3.140977 -0.898898 -0.506891
C 3.719992 1.502656 -0.539208
C 2.250696 0.535089 -2.303783
C 0.768404 0.121747 -2.471834
C -1.290232 -0.056708 -1.007124
C -1.731104 0.098653 0.329377
C -2.210512 -0.447349 -2.021340
C -3.085126 -0.131230 0.660008
C -3.553922 -0.672012 -1.664999
C -4.014634 -0.520960 -0.336038
C -4.793680 -0.157962 2.417890
H 4.628912 0.052382 2.520625
H 5.451043 -0.162139 0.955872
H 3.787905 -2.004535 1.248153
H 2.488776 -0.823525 1.563355
H 3.098941 1.767260 1.522903
H 4.792209 2.237380 1.203790
H 4.057919 -1.186865 -1.079943
H 2.341733 -1.609725 -0.787831
H 3.329492 2.492964 -0.839210
H 4.671222 1.331125 -1.103370
H 2.337206 1.575957 -2.670278
H 2.850152 -0.100853 -2.990685
H 0.717750 0.456687 -0.499564
H -1.041792 0.401053 1.125314
H -1.859880 -0.563785 -3.048128
H -4.265449 -0.972748 -2.442415
H -5.066058 -0.703140 -0.097348
H -5.112064 -1.201435 2.226768
H -5.477561 0.538556 1.894516
H -4.816218 0.043759 3.499063


