%chk=000218201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218201

0 1
O -1.069385 -0.959535 0.071408
O -3.243380 -0.017282 -0.011227
O 1.427959 0.783119 0.351754
O 1.352480 -0.034899 -1.806927
O 3.398888 0.578935 1.615433
N 3.233947 -0.371433 -0.462941
C -2.497723 -1.295833 -0.137878
C -2.940471 -2.233632 0.980890
C -2.687402 -1.826820 -1.557043
C -0.997599 0.414523 0.171873
C -2.309264 0.984386 0.153023
C -2.759923 -1.617251 2.362885
C -1.994412 -0.962376 -2.603627
C 0.105747 1.243717 0.265581
C -2.532372 2.339053 0.276807
C -0.098544 2.637744 0.393726
C -1.386503 3.158947 0.408031
C 1.927450 0.107915 -0.753812
C 3.873628 -1.164994 -1.547085
C 3.917491 -0.121246 0.779493
C 5.260369 -0.767562 0.930634
H -2.357749 -3.176081 0.911382
H -4.004663 -2.506591 0.824580
H -3.774746 -1.883862 -1.773784
H -2.298098 -2.863880 -1.614471
H -1.708371 -1.351146 2.543399
H -3.349984 -0.696445 2.467577
H -3.071411 -2.308257 3.152912
H -2.421906 0.047599 -2.638809
H -0.918144 -0.846814 -2.382453
H -2.080665 -1.398372 -3.603670
H -3.532982 2.759538 0.269071
H 0.776047 3.280993 0.488422
H -1.528341 4.235072 0.513758
H 4.067273 -2.196743 -1.212017
H 4.816888 -0.695621 -1.869224
H 3.209433 -1.220948 -2.434513
H 5.984883 -0.413770 0.184058
H 5.678309 -0.527123 1.924032
H 5.210850 -1.863227 0.860252


%chk=000218201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218201

0 1
O -1.045247 -0.940386 0.064935
O -3.260230 -0.004155 -0.054685
O 1.432567 0.760515 0.459367
O 1.331990 -0.104235 -1.717987
O 3.941595 1.221176 1.224289
N 3.273145 -0.368363 -0.405785
C -2.498004 -1.304983 -0.188957
C -2.960151 -2.275340 0.904143
C -2.635435 -1.832261 -1.623306
C -1.007186 0.454840 0.189474
C -2.303351 1.012751 0.144065
C -2.833418 -1.718294 2.335155
C -2.103991 -0.873059 -2.707437
C 0.107663 1.282636 0.355155
C -2.536750 2.382228 0.296160
C -0.090356 2.674763 0.519877
C -1.396513 3.211250 0.492623
C 1.956753 0.100116 -0.653914
C 3.778844 -1.381505 -1.369222
C 4.150654 0.147811 0.612136
C 5.387354 -0.705669 0.884315
H -2.361560 -3.200153 0.796633
H -4.012065 -2.542785 0.686460
H -3.707698 -2.052596 -1.790696
H -2.093472 -2.796754 -1.670457
H -1.785275 -1.462404 2.566794
H -3.449837 -0.811845 2.460442
H -3.173561 -2.469209 3.070043
H -2.661513 0.079756 -2.700894
H -1.032817 -0.655612 -2.555568
H -2.226327 -1.328566 -3.706368
H -3.549214 2.792000 0.263690
H 0.786702 3.310354 0.669043
H -1.534661 4.289318 0.620028
H 4.028843 -2.322910 -0.851388
H 4.669310 -1.009449 -1.904074
H 2.985380 -1.572483 -2.105617
H 6.060830 -0.749367 0.009367
H 5.929162 -0.244521 1.722579
H 5.115443 -1.742813 1.151081


