%chk=000244317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244317

0 1
O -1.299909 1.818828 -1.162573
O 0.317548 -2.886379 0.650379
O 1.608510 2.397812 -1.501146
O 4.133077 0.856886 0.161802
O 1.486114 -2.388798 -1.231093
O 2.693583 1.041941 1.908634
N -0.475837 -0.023532 -0.016280
C -1.746086 -0.602610 0.526764
C -2.709669 -0.906255 -0.637098
C -2.380986 0.377548 1.532198
C 0.834108 -0.610096 0.357854
C -4.018143 -1.490275 -0.090582
C -3.691038 -0.207632 2.074209
C -4.662961 -0.547374 0.935405
C 1.908213 0.303236 -0.282232
C -0.378343 1.157904 -0.753139
C 1.139432 1.456041 -0.943254
C 0.939312 -2.034165 -0.217592
C 2.904543 0.787797 0.747052
C 0.224777 -4.306056 0.284652
C 5.247544 1.397953 0.953873
C -0.867790 -4.493435 -0.743918
C 5.125680 2.902216 1.039202
H -1.479626 -1.562028 1.050601
H -2.918632 0.025942 -1.206454
H -2.242945 -1.602406 -1.356675
H -1.682231 0.593245 2.360552
H -2.579064 1.351276 1.035879
H 0.940737 -0.652500 1.480109
H -4.720244 -1.671049 -0.926977
H -3.831165 -2.478283 0.371425
H -3.482495 -1.112681 2.676274
H -4.161525 0.516801 2.766373
H -5.581113 -1.006246 1.346233
H -4.984950 0.385447 0.431187
H 2.463806 -0.243669 -1.105706
H 1.215195 -4.639090 -0.073127
H -0.012751 -4.752138 1.268142
H 6.104915 1.058911 0.342627
H 5.243693 0.906142 1.942172
H -0.586347 -4.055934 -1.714073
H -1.806142 -4.014735 -0.432600
H -1.078274 -5.556626 -0.915987
H 4.292090 3.205275 1.690453
H 4.938957 3.348716 0.051563
H 6.038630 3.358375 1.441094


%chk=000244317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244317

0 1
O -1.238595 1.973070 -1.046879
O 0.356809 -3.005733 0.654434
O 1.701398 2.468657 -1.338079
O 4.185293 0.941009 0.079101
O 1.321165 -2.389937 -1.380436
O 2.853004 0.684801 1.984780
N -0.447124 0.006423 0.025239
C -1.747634 -0.525973 0.519486
C -2.696111 -0.875126 -0.657627
C -2.418268 0.458288 1.515207
C 0.841286 -0.669148 0.350796
C -4.026720 -1.458324 -0.125274
C -3.749454 -0.133918 2.037773
C -4.705357 -0.491966 0.874837
C 1.945170 0.220182 -0.263707
C -0.316786 1.202950 -0.662175
C 1.193192 1.452136 -0.836428
C 0.880388 -2.090362 -0.248400
C 3.015203 0.624568 0.742232
C 0.284844 -4.437833 0.202405
C 5.295515 1.526122 0.903557
C -0.982442 -4.686600 -0.618255
C 5.100284 3.035652 1.058987
H -1.507341 -1.459879 1.064053
H -2.891540 0.042931 -1.241556
H -2.199257 -1.597630 -1.333805
H -1.728154 0.662804 2.356322
H -2.609885 1.416940 0.999338
H 0.953900 -0.741190 1.447732
H -4.703506 -1.672066 -0.974366
H -3.831877 -2.427865 0.381581
H -3.542540 -1.046207 2.635884
H -4.231199 0.591577 2.720590
H -5.634999 -0.943849 1.271201
H -4.997350 0.436381 0.343387
H 2.428678 -0.280843 -1.123130
H 1.195351 -4.659776 -0.380873
H 0.288985 -5.000154 1.148967
H 6.197512 1.278983 0.322421
H 5.313129 1.010942 1.880027
H -0.956590 -4.123914 -1.566455
H -1.885882 -4.399433 -0.052358
H -1.057132 -5.762585 -0.860792
H 4.202978 3.259181 1.659956
H 4.996819 3.519841 0.073412
H 5.977040 3.471173 1.573093


