%chk=000185122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185122

0 1
O -4.529756 -2.259811 -1.748168
O -0.030171 -2.396825 0.745003
O -4.085876 2.319557 0.257692
O -2.190963 3.542090 0.415474
O 7.693009 0.258819 -0.255120
N -0.036034 -0.122592 0.810180
C -2.222109 -1.373447 0.861021
C -2.895604 -0.103024 0.280147
C -2.814984 -2.559409 0.050909
C -3.188935 -1.949658 -1.335349
C -3.165996 -0.419112 -1.206341
C -2.068294 1.133480 0.464271
C -0.705751 -1.387521 0.774141
C -4.011603 -3.177015 0.765177
C -0.729369 1.090134 0.686755
C 1.455871 -0.093775 0.853046
C -2.717032 2.447784 0.381230
C 2.050552 0.100762 -0.552568
C 3.551112 0.120967 -0.477557
C -4.838241 3.559522 0.166492
C 4.241765 1.345668 -0.430565
C 4.268396 -1.084118 -0.447996
C 5.631127 1.375453 -0.356612
C 5.662977 -1.082398 -0.373352
C 6.323995 0.152738 -0.329106
H -2.472440 -1.472417 1.946869
H -3.879733 0.036537 0.801304
H -2.032875 -3.347620 -0.083765
H -2.504378 -2.318251 -2.127689
H -4.139525 0.005279 -1.528503
H -2.405390 0.027255 -1.867095
H -4.862874 -2.481196 0.793049
H -4.356804 -4.086040 0.259544
H -3.768417 -3.457319 1.796350
H -0.131293 2.011208 0.788245
H -4.665055 -3.224270 -1.800704
H 1.813433 -1.060832 1.286793
H 1.790190 0.713265 1.540356
H 1.707066 -0.716278 -1.223280
H 1.664646 1.031603 -1.014810
H -4.702264 4.138664 1.085092
H -5.866987 3.202693 0.051862
H -4.501763 4.131970 -0.703746
H 3.686927 2.283964 -0.454157
H 3.735073 -2.035505 -0.483043
H 6.185900 2.310513 -0.321379
H 6.214904 -2.016166 -0.351502
H 8.134374 -0.625027 -0.241897


%chk=000185122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185122

0 1
O -5.182118 -1.841023 -0.522943
O -0.008860 -2.356174 0.677246
O -4.161077 2.486560 0.110741
O -2.170731 3.665251 0.430485
O 7.808410 0.202711 0.034435
N -0.090821 -0.034409 0.707613
C -2.243457 -1.346540 0.658285
C -2.987886 -0.041481 0.211944
C -2.746870 -2.487696 -0.304079
C -3.855444 -1.820797 -1.172399
C -3.443783 -0.343219 -1.248011
C -2.168623 1.216478 0.383792
C -0.711128 -1.300259 0.665719
C -3.178093 -3.771072 0.428377
C -0.817407 1.158889 0.605726
C 1.391064 0.021102 0.805745
C -2.772762 2.562361 0.318504
C 2.075466 0.001210 -0.589271
C 3.589958 0.033846 -0.457358
C -4.861213 3.788298 0.047355
C 4.312196 1.251737 -0.559958
C 4.316081 -1.152170 -0.180445
C 5.711221 1.293789 -0.394385
C 5.717450 -1.130013 -0.011956
C 6.413405 0.098586 -0.118352
H -2.524572 -1.598902 1.700779
H -3.915045 0.043765 0.805066
H -1.915050 -2.752142 -0.985661
H -3.920967 -2.302181 -2.170541
H -4.277112 0.302654 -1.564501
H -2.604415 -0.219988 -1.959084
H -3.960389 -3.559767 1.182005
H -3.563968 -4.534487 -0.275347
H -2.313411 -4.210741 0.954134
H -0.241635 2.083743 0.715674
H -5.456772 -2.782485 -0.384798
H 1.723140 -0.855567 1.385358
H 1.670183 0.937019 1.356902
H 1.750954 -0.917122 -1.112072
H 1.719605 0.867128 -1.178922
H -4.725622 4.343289 0.991162
H -5.917647 3.530959 -0.113661
H -4.467546 4.396855 -0.784440
H 3.773506 2.181699 -0.780142
H 3.780766 -2.106435 -0.103103
H 6.271244 2.229772 -0.478159
H 6.261742 -2.060701 0.196068
H 8.208834 -0.682029 0.223171


