%chk=000188710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188710

0 1
S 0.073415 3.086568 -0.255677
F 6.287180 2.521808 -0.145750
O -1.786530 -0.903027 0.317035
O 1.685180 -1.179503 -2.013271
N -2.090634 1.348423 -0.021961
N 0.928032 -0.878519 0.110750
N -2.634862 3.550532 -0.107514
N -3.790013 2.841938 -0.015659
C 0.217436 0.356280 -0.252584
C 0.803405 1.573156 0.482112
C -1.283997 0.157386 0.056756
C 2.272886 1.799168 0.290143
C -1.602277 2.694722 -0.116975
C -3.526329 1.516765 0.051511
C 3.012775 2.345387 1.355570
C 2.913346 1.505230 -0.926063
C 1.632452 -1.601191 -0.871592
C -4.522859 0.455316 0.184455
C 4.378350 2.595959 1.218430
C 4.279256 1.745894 -1.084489
C 2.274293 -2.852571 -0.371266
C 4.982052 2.288775 -0.005363
C -4.452402 -0.719959 -0.580345
C -5.596835 0.656397 1.070736
C 1.897894 -4.077707 -0.937462
C 3.263191 -2.797521 0.620032
C -5.447381 -1.691709 -0.449696
C -6.584602 -0.322625 1.195643
C -6.511031 -1.495864 0.437409
C 2.507563 -5.255720 -0.496336
C 3.871166 -3.979223 1.051563
C 3.491659 -5.206666 0.496510
H 0.310514 0.500614 -1.382434
H 0.550873 1.519614 1.570395
H 0.801668 -1.235104 1.054179
H 2.521011 2.584343 2.300011
H 2.351585 1.069139 -1.761365
H 4.952412 3.022552 2.040447
H 4.776391 1.514365 -2.027453
H -3.621174 -0.881313 -1.266615
H -5.659523 1.579872 1.650320
H 1.139010 -4.108902 -1.721214
H 3.566057 -1.839454 1.043053
H -5.391732 -2.604747 -1.041130
H -7.415610 -0.168300 1.882909
H -7.283992 -2.257223 0.536640
H 2.217719 -6.212016 -0.931208
H 4.644022 -3.943832 1.818708
H 3.967290 -6.126904 0.836504


%chk=000188710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188710

0 1
S 0.024223 3.202518 -0.556555
F 6.504278 2.442449 -0.262181
O -1.637928 -0.737826 0.909310
O 1.665325 -1.149671 -2.010750
N -2.108576 1.363473 -0.024316
N 0.938933 -0.800458 0.170779
N -2.722325 3.537070 -0.315080
N -3.901323 2.745594 -0.110407
C 0.220288 0.412208 -0.200923
C 0.866493 1.717635 0.363196
C -1.243552 0.271430 0.281927
C 2.359473 1.864233 0.178642
C -1.680944 2.701469 -0.284754
C -3.536991 1.462284 0.087977
C 3.133169 2.378539 1.251362
C 2.999454 1.554104 -1.050798
C 1.605078 -1.547987 -0.802894
C -4.525649 0.392399 0.299482
C 4.523770 2.575514 1.117332
C 4.387902 1.744234 -1.203376
C 2.231183 -2.833238 -0.348496
C 5.117914 2.251227 -0.114061
C -4.368914 -0.927994 -0.199161
C -5.736553 0.747292 0.957381
C 2.555323 -3.791220 -1.343531
C 2.526290 -3.112917 1.012179
C -5.398083 -1.876156 -0.029125
C -6.759929 -0.206123 1.128187
C -6.594089 -1.522786 0.638310
C 3.143208 -5.020384 -0.982615
C 3.118702 -4.342772 1.370976
C 3.422397 -5.301288 0.376202
H 0.233235 0.465245 -1.310476
H 0.604832 1.844270 1.429220
H 0.657512 -1.256156 1.042649
H 2.646259 2.632195 2.200084
H 2.426994 1.139843 -1.886447
H 5.132560 2.970158 1.935333
H 4.897115 1.502225 -2.140155
H -3.455489 -1.219808 -0.723870
H -5.859218 1.772776 1.318845
H 2.340185 -3.546832 -2.388779
H 2.337215 -2.365722 1.791875
H -5.266710 -2.890665 -0.420070
H -7.684832 0.077507 1.641598
H -7.388886 -2.264861 0.771943
H 3.385267 -5.757570 -1.755544
H 3.352178 -4.549395 2.420882
H 3.881538 -6.255462 0.657096


