%chk=000187099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187099

0 1
O 3.800158 -0.432571 1.597240
O -1.186804 -1.871898 -0.276391
O 4.583396 1.383989 -1.023960
O 6.110549 -0.178907 -0.427959
N -2.264403 0.222916 -0.026659
N -4.623207 -1.116961 -0.947376
C 4.518052 0.774859 1.239810
C 2.540890 -0.650078 1.061173
C 0.042264 -1.348857 0.197242
C 1.898359 -1.755247 1.660491
C 1.948578 0.100038 0.039696
C 5.561207 0.912249 2.331886
C -3.474541 0.911135 -0.148648
C 0.626692 -2.106344 1.225326
C 0.669112 -0.255236 -0.399893
C -4.649628 0.238927 -0.608712
C -2.286824 -1.066059 -0.353483
C 5.199960 0.541911 -0.121205
C -3.537963 2.295998 0.188376
C -5.873636 0.964392 -0.725657
C -3.482523 -1.764215 -0.828232
C -4.732723 2.964819 0.064521
C -5.905191 2.298077 -0.394309
C 5.037912 1.332717 -2.402818
H 3.817090 1.640275 1.195717
H 6.160076 1.823254 2.213251
H 5.086330 0.939190 3.323714
H 6.251717 0.052041 2.337843
H 2.406284 -2.309065 2.448933
H 2.463969 0.940810 -0.427019
H 0.088612 -2.949203 1.657784
H 0.169725 0.315298 -1.183304
H -2.630313 2.788672 0.540136
H -6.760633 0.434375 -1.078389
H -3.424107 -2.828314 -1.084216
H -4.801072 4.023618 0.318362
H -6.830898 2.867234 -0.477220
H 6.131903 1.292956 -2.443131
H 4.645799 2.263410 -2.825480
H 4.598931 0.449494 -2.877341


%chk=000187099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187099

0 1
O 4.099635 -0.878741 1.480917
O -1.397355 -1.796364 0.647202
O 4.462449 1.984438 -0.565004
O 5.303704 -0.112085 -1.152543
N -2.328271 0.294703 -0.071396
N -4.843415 -1.107040 -0.210283
C 4.770850 0.405007 1.225712
C 2.716890 -0.978854 1.220692
C -0.033406 -1.408674 0.810174
C 2.152850 -2.250903 1.490464
C 1.900199 0.073259 0.744522
C 6.172092 0.269904 1.833353
C -3.493764 0.952099 -0.466790
C 0.781753 -2.464904 1.284801
C 0.515878 -0.137621 0.537524
C -4.757692 0.251000 -0.537702
C -2.451536 -1.000529 0.234244
C 4.875723 0.676767 -0.287811
C -3.443149 2.336085 -0.806611
C -5.932332 0.947227 -0.945207
C -3.713425 -1.711427 0.166285
C -4.610817 2.999353 -1.203911
C -5.859367 2.305918 -1.274524
C 4.574695 2.405465 -1.985757
H 4.208620 1.232263 1.698614
H 6.743391 1.205407 1.700571
H 6.086955 0.055452 2.911470
H 6.714752 -0.556068 1.344710
H 2.803359 -3.051092 1.854316
H 2.312907 1.061799 0.522347
H 0.326472 -3.439329 1.483579
H -0.125455 0.665023 0.175103
H -2.480036 2.852242 -0.746417
H -6.871955 0.387751 -0.988414
H -3.747432 -2.773410 0.428700
H -4.570279 4.062770 -1.464167
H -6.760138 2.844071 -1.587879
H 5.618539 2.310271 -2.328350
H 4.245115 3.453340 -1.995938
H 3.926099 1.775127 -2.616497


