%chk=000265248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265248

0 1
O 3.525910 0.092332 -0.863653
O -3.510086 1.215087 -0.862781
O 2.934725 -2.598280 -1.422180
O -4.764121 1.071375 1.665247
N 1.829039 2.135772 0.500377
N -0.021667 0.395882 -1.665415
N 5.178609 2.118061 1.228564
N -0.995340 -2.701000 -2.523030
C -0.435666 2.588020 -0.380927
C 0.375113 2.110544 0.835364
C -0.063934 1.880227 -1.697950
C 2.671319 1.376034 1.481757
C -1.347563 -0.273522 -1.571621
C 2.508442 -0.115465 1.236040
C -1.936992 -0.365540 -0.171962
C 2.862624 -0.716270 0.016069
C -3.081261 0.383420 0.150758
C 1.951428 -0.906082 2.260966
C -1.351811 -1.182133 0.808644
C 2.579890 -2.107277 -0.183584
C -3.641080 0.291264 1.455948
C 4.077208 1.787033 1.325170
C -1.154816 -1.636554 -2.104785
C 1.713591 -2.259643 2.066652
C -1.902266 -1.263808 2.084097
C 2.010219 -2.865010 0.834304
C -3.051616 -0.532776 2.414633
C 3.491895 -0.250807 -2.275749
C -4.887088 1.671967 -0.826912
C 2.366481 -3.872946 -1.821862
C -5.463647 0.908471 2.923931
H -1.515738 2.440077 -0.169232
H -0.304116 3.678255 -0.520142
H 0.120462 2.734171 1.719621
H 0.081172 1.066178 1.093825
H 0.966098 2.191979 -2.004785
H -0.756260 2.210661 -2.501866
H 2.380384 1.603173 2.553070
H -2.078798 0.270350 -2.248888
H 2.162215 3.099031 0.398617
H 0.606155 0.082716 -0.910232
H 1.704334 -0.445942 3.216378
H -0.458998 -1.762756 0.562820
H 1.294437 -2.864331 2.868522
H -1.440155 -1.903640 2.835138
H 1.807926 -3.924245 0.694567
H -3.466800 -0.613719 3.415504
H 2.459839 -0.397794 -2.610924
H 4.104619 -1.142771 -2.451493
H 3.938756 0.644182 -2.723762
H -5.009008 2.398575 -0.014124
H -5.570788 0.827666 -0.706501
H -4.992381 2.143135 -1.810760
H 2.775697 -4.677443 -1.206596
H 2.714555 -3.951378 -2.859868
H 1.271818 -3.836603 -1.785101
H -4.828391 1.228887 3.754608
H -5.804127 -0.124087 3.042892
H -6.313443 1.591097 2.794101


%chk=000265248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265248

0 1
O 3.718044 0.035975 -1.034384
O -3.614219 1.240078 -0.876787
O 3.147230 -2.672125 -1.677588
O -5.013449 1.339745 1.564099
N 1.959308 2.021084 0.562833
N -0.112041 0.486875 -1.325609
N 5.394833 2.154477 1.097852
N -0.598887 -2.814857 -2.040521
C -0.386043 2.679435 0.009078
C 0.581814 2.133960 1.084165
C -0.243126 1.957950 -1.366702
C 2.905064 1.227041 1.394136
C -1.330502 -0.350311 -1.289559
C 2.747107 -0.278277 1.130279
C -2.099857 -0.396323 0.049624
C 3.068337 -0.818029 -0.145924
C -3.250366 0.417080 0.209222
C 2.210037 -1.109905 2.141054
C -1.638737 -1.183493 1.134250
C 2.791238 -2.198944 -0.410174
C -3.922061 0.458471 1.470940
C 4.289079 1.718340 1.195172
C -0.948414 -1.722916 -1.712917
C 1.942211 -2.468473 1.876738
C -2.320193 -1.162883 2.365137
C 2.214857 -3.007076 0.599935
C -3.459645 -0.343864 2.539615
C 3.308436 0.087202 -2.458382
C -5.017787 1.187612 -1.346295
C 2.696045 -4.020879 -2.056463
C -5.687243 1.448971 2.861876
H -1.419054 2.591163 0.392805
H -0.198497 3.761269 -0.154564
H 0.511300 2.769300 2.001046
H 0.252077 1.119989 1.381681
H 0.661915 2.345622 -1.870175
H -1.111069 2.213072 -2.002141
H 2.696388 1.380763 2.482683
H -2.025822 0.055564 -2.048821
H 2.357405 2.902730 0.221342
H 0.630890 0.176468 -0.686548
H 1.986433 -0.682763 3.125841
H -0.753618 -1.816614 1.005243
H 1.520374 -3.111332 2.656469
H -1.969535 -1.782207 3.197334
H 1.991098 -4.058098 0.396856
H -3.971292 -0.328538 3.506330
H 2.214109 0.223686 -2.537481
H 3.614772 -0.831091 -2.982074
H 3.838290 0.965516 -2.857857
H -5.699870 1.581755 -0.576900
H -5.297153 0.148946 -1.607326
H -5.036862 1.819790 -2.247153
H 3.170194 -4.791624 -1.418722
H 3.033730 -4.146326 -3.095817
H 1.593707 -4.089071 -2.006836
H -4.985855 1.789085 3.647663
H -6.145416 0.486624 3.161226
H -6.472706 2.204182 2.712697


