%chk=000185295.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185295

0 1
O -2.662746 2.491238 0.376747
O 1.131214 -1.120494 -0.087950
O 4.154043 2.203178 -1.206449
N -5.114472 -1.242608 0.179808
N -0.974469 0.960574 0.463144
N 2.391077 0.707480 -0.829306
C -4.546960 0.052473 0.717181
C -4.259473 -1.721557 -0.968132
C -3.218940 0.198987 -0.047516
C -3.065156 -0.762741 -0.963484
C -4.295874 -0.116023 2.218398
C -5.459003 1.250738 0.433989
C -4.991255 -1.643729 -2.316741
C -3.805135 -3.154318 -0.668952
C -2.305052 1.326040 0.262745
C 0.060468 1.980933 0.737254
C 0.699160 2.540906 -0.544231
C 1.301567 1.480526 -1.472516
C 2.190475 -0.546778 -0.160935
C 3.755281 1.172412 -0.735310
C 3.542442 -0.926719 0.371127
C 4.472565 0.096993 0.031866
C 3.933900 -2.042278 1.077833
C 5.797031 0.008358 0.398739
C 5.295247 -2.135814 1.457418
C 6.202596 -1.137010 1.126809
H -6.098375 -1.158057 -0.074407
H -2.245588 -0.916284 -1.643910
H -3.618732 -0.956902 2.412933
H -3.857165 0.788459 2.652737
H -5.228130 -0.333171 2.752092
H -4.940675 2.192523 0.689150
H -5.724849 1.328441 -0.624382
H -6.380516 1.213800 1.020630
H -5.300725 -0.619385 -2.552204
H -4.351714 -1.986809 -3.137172
H -5.886999 -2.274534 -2.323614
H -4.664230 -3.830681 -0.589791
H -3.134642 -3.539329 -1.441157
H -3.282592 -3.202371 0.296070
H -0.644140 0.005394 0.303226
H -0.405090 2.824644 1.305599
H 0.834054 1.527369 1.394114
H -0.068396 3.110405 -1.112892
H 1.473234 3.284548 -0.264218
H 0.518380 0.762517 -1.810180
H 1.719508 1.973665 -2.382389
H 3.224975 -2.829272 1.339178
H 6.513582 0.789598 0.140797
H 5.626638 -3.011224 2.018884
H 7.247857 -1.226610 1.428273


%chk=000185295-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185295

0 1
O -2.734558 2.409797 1.055225
O 1.042553 -1.042691 -0.080566
O 4.084190 2.391928 -1.150257
N -5.131178 -1.169690 0.060581
N -0.945544 0.938920 0.843303
N 2.294116 0.887521 -0.700745
C -4.717217 0.205025 0.511369
C -4.029402 -1.890577 -0.652646
C -3.195043 0.135983 0.318929
C -2.833713 -1.007570 -0.326200
C -5.108305 0.423312 1.995798
C -5.345904 1.327385 -0.367540
C -4.257687 -1.967626 -2.194754
C -3.851508 -3.323978 -0.080989
C -2.293305 1.245913 0.761931
C 0.062218 1.947927 1.192066
C 0.638546 2.690317 -0.040703
C 1.186062 1.756667 -1.144590
C 2.142926 -0.440056 -0.224812
C 3.672504 1.276816 -0.750895
C 3.525867 -0.941262 0.052576
C 4.444983 0.091306 -0.257903
C 3.956305 -2.185595 0.535395
C 5.826466 -0.086272 -0.095971
C 5.353478 -2.375609 0.702634
C 6.273512 -1.342622 0.392276
H -6.036811 -1.192401 -0.422470
H -1.819903 -1.302494 -0.620105
H -4.670197 -0.371267 2.623722
H -4.758977 1.408264 2.351335
H -6.207733 0.373875 2.102180
H -4.978310 2.313889 -0.040009
H -5.084054 1.187933 -1.432557
H -6.448936 1.308392 -0.270474
H -4.370928 -0.956597 -2.624669
H -3.413314 -2.470293 -2.702117
H -5.174240 -2.548783 -2.414077
H -4.759919 -3.923056 -0.276651
H -2.987577 -3.841105 -0.540902
H -3.703813 -3.274425 1.010519
H -0.605858 0.002203 0.600545
H -0.415597 2.687404 1.858066
H 0.873003 1.449618 1.755508
H -0.165129 3.301903 -0.492210
H 1.434269 3.384116 0.290762
H 0.381985 1.096240 -1.514839
H 1.566538 2.360346 -1.987216
H 3.237408 -2.976156 0.771430
H 6.528179 0.717450 -0.339318
H 5.728465 -3.333967 1.077037
H 7.345290 -1.518858 0.531903


