%chk=000208587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208587

0 1
O 5.072035 -0.603428 -0.440873
O 0.176309 0.129576 2.042370
N 2.243245 -0.948595 -0.299035
C 0.954607 -1.652301 -0.006819
C -0.189659 -0.626213 -0.211881
C 3.052520 -1.667928 -1.335489
C 3.058264 -0.755488 0.944726
C 4.303744 -0.826572 -1.640110
C 4.306312 0.063600 0.585658
C -1.516573 -1.343271 -0.272308
C -0.192534 0.406386 0.920389
C -0.652334 1.785946 0.568606
C -2.170564 -1.495403 -1.504176
C -2.093447 -1.875996 0.890974
C -3.391920 -2.172063 -1.568360
C -3.314765 -2.549856 0.820852
C -1.758526 2.000527 -0.264347
C 0.039460 2.879219 1.111211
C -3.966653 -2.699237 -0.407805
C -2.164076 3.304774 -0.559893
C -0.362801 4.181908 0.804825
C -1.464253 4.394624 -0.030481
H 0.906351 -2.053024 1.030609
H 0.787133 -2.517930 -0.681293
H 0.008099 -0.084000 -1.175309
H 2.437206 -1.772113 -2.253785
H 3.355927 -2.688624 -1.017842
H 3.360387 -1.714521 1.417516
H 2.436154 -0.206019 1.689214
H 5.020541 -1.363197 -2.285302
H 4.040347 0.149712 -2.083966
H 4.045969 1.077614 0.235301
H 5.026305 0.117078 1.420519
H -1.727934 -1.092356 -2.413225
H -1.586814 -1.759517 1.851559
H -3.896270 -2.289079 -2.526388
H -3.759771 -2.959464 1.726913
H -2.312410 1.154067 -0.673671
H 0.887476 2.704181 1.776004
H -4.918164 -3.224633 -0.460037
H -3.026807 3.472136 -1.202502
H 0.178380 5.029872 1.221346
H -1.779896 5.410208 -0.266698


%chk=000208587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208587

0 1
O 5.136184 -0.670396 -0.595950
O 0.329039 0.283917 1.970979
N 2.301930 -1.027868 -0.138022
C 0.982248 -1.661693 0.074402
C -0.170973 -0.661434 -0.223649
C 2.895646 -1.294622 -1.467981
C 3.281077 -1.255125 0.951639
C 4.152665 -0.428068 -1.663423
C 4.523770 -0.381934 0.715013
C -1.537983 -1.356031 -0.192019
C -0.114298 0.494309 0.802270
C -0.611292 1.856510 0.413736
C -2.225968 -1.645850 -1.397904
C -2.112214 -1.770399 1.038380
C -3.460972 -2.332046 -1.378989
C -3.347353 -2.454886 1.059096
C -1.339790 2.096034 -0.782668
C -0.348914 2.943420 1.292654
C -4.026886 -2.738314 -0.148494
C -1.792939 3.395934 -1.093094
C -0.791969 4.242273 0.977116
C -1.515891 4.472427 -0.218379
H 0.896119 -1.979645 1.128599
H 0.845157 -2.566023 -0.560304
H -0.004276 -0.248753 -1.235995
H 2.157996 -1.049048 -2.256714
H 3.173205 -2.373204 -1.585755
H 3.596974 -2.326817 1.012914
H 2.808471 -0.972680 1.909876
H 4.669797 -0.680310 -2.604377
H 3.863506 0.645422 -1.669451
H 4.234452 0.690089 0.762722
H 5.310089 -0.591307 1.458865
H -1.788328 -1.339439 -2.357128
H -1.594465 -1.545898 1.978268
H -3.979616 -2.549776 -2.319595
H -3.780792 -2.765370 2.016560
H -1.577784 1.269871 -1.459483
H 0.205220 2.738447 2.214571
H -4.985633 -3.268463 -0.131061
H -2.362842 3.570453 -2.012207
H -0.578039 5.074784 1.656272
H -1.863728 5.482109 -0.464289


